SCHEMBL1750256

SCHEMBL1750256

COc1ccc(C=O)c2c1oc1ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 4/20 0.44
ERN1 O75460 2/20 0.43
EGFR P00533 2/20 0.42
IGF1R P08069 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.40
PTGS2 P35354 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1302395 0.85 PTPN1 (0.44) PTPN1RAB9ATDP1ALDH1A1ERN1
SCHEMBL4033691 0.82 CYP19A1 (0.43) PTPN1RAB9ATDP1ALDH1A1ERN1
SCHEMBL4030812 0.81 ERN1 (0.58) PTPN1NPC1RAB9ATDP1ALDH1A1
SCHEMBL1751525 0.80 ALDH1A1 (0.48) NPC1RAB9ATDP1ALDH1A1EGFR
SCHEMBL1750895 0.79 HTT (0.43) NPC1RAB9ATDP1ALDH1A1EGFR
Hydrochloric Acid SCHEMBL4026672 0.79 ALDH1A1 (0.47) NPC1RAB9ATDP1ALDH1A1EGFR
SCHEMBL13693816 0.77 GAK (0.38) NPC1RAB9AALDH1A1EGFRMAPT
SCHEMBL1647979 0.77 MAOA (0.52) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3663573 0.76 MAOA (0.52) NPC1RAB9ATDP1ALDH1A1EGFR
SCHEMBL4236677 0.75 EGFR (0.39) NPC1RAB9ATDP1ALDH1A1EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225205-B1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2013-01-02 EP disclosed
US-7968724-B2 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2011-06-28 US disclosed
EP-2225205-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2010-09-08 EP disclosed
WO-2009077068-A9 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2009-08-20 WO disclosed
US-20090182143-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-07-16 US disclosed
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-07-02 US disclosed
WO-2009077068-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-06-25 WO disclosed
EP-2070913-A1 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.p.A. (IT) 2009-06-17 EP disclosed
EP-1620429-B1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS SA (CH) 2009-04-01 EP disclosed
US-7393846-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders GLENMARK PHARMACEUTICALS, S.A. (CH) 2008-07-01 US disclosed
US-7238725-B2 Tricyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2007-07-03 US disclosed
US-7223789-B2 Heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-29 US disclosed
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-05-10 US disclosed
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS LTD. (IN) 2006-08-10 US disclosed
EP-1620429-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals S.A. (CH) 2006-02-01 EP disclosed
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
US-20050027129-A1 Novel heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them GLENMARK PHARMACEUTICALS, INC. USA 2005-02-03 US disclosed
WO-2004089940-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (US) 2004-10-21 WO disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090182143-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 PTPN1 1328/4885NPC1 2455/4885RAB9A 1467/4885
US-20050027129-A1 Novel heterocyclic compounds useful for the treatment of inflammatory and allergic disorders: process for their preparation and pharmaceutical compositions containing them PDE4A, PDE4B, PDE12 PTPN1 1328/4885NPC1 2455/4885RAB9A 1467/4885
US-20070105854-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 PTPN1 1328/4885NPC1 2455/4885RAB9A 1467/4885
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE5A PTPN1 2310/4885NPC1 2240/4885RAB9A 1772/4885
US-20070105855-A1 NOVEL HETEROCYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM PDE4A, PDE4B, PDE12 PTPN1 1328/4885NPC1 2455/4885RAB9A 1467/4885
US-20060178418-A1 Novel tricyclic compounds useful for the treatment of inflammatory and allergic disorders:process for their preparation and pharmaceutical compositions containing them LTC4S, TSLP, GPR119 PTPN1 3734/4885NPC1 853/4885RAB9A 3448/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.