SCHEMBL1750895

SCHEMBL1750895

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
EGFR P00533 2/20 0.41
IGF1R P08069 2/20 0.41
PTGS2 P35354 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
PYGL P06737 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 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
SCHEMBL1751525 0.90 ALDH1A1 (0.48) HTTTDP1L3MBTL1MAPK1CA12
Hydrochloric Acid SCHEMBL4026672 0.89 ALDH1A1 (0.47) HTTTDP1L3MBTL1MAPK1CA12
SCHEMBL13620937 0.86 PDE4D (0.46) HTTTDP1L3MBTL1MAPK1CA12
SCHEMBL4028222 0.82 MEN1 (0.53) HTTTDP1MAPK1ALDH1A1NPC1
SCHEMBL4030900 0.81 KMT2A (0.57) ALDH1A1RAB9ANPC1LMNAEGFR
SCHEMBL4036023 0.81 PDE4A (0.57) TDP1L3MBTL1MAPK1ALDH1A1NPC1
SCHEMBL1750624 0.81 PDE4D (0.50)
SCHEMBL4033314 0.81 PDE4D (0.59) PTGS2
SCHEMBL4029573 0.80 MEN1 (0.54) HTTL3MBTL1ALDH1A1LMNAEGFR
SCHEMBL1750256 0.79 PTPN1 (0.46) HTTTDP1CA12CA9ALDH1A1

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 17 patents. 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-7384962-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) 2008-06-10 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
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
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

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

For each of this compound's patents that has machine-readable text (5 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 HTT 4260/4885TDP1 612/4885L3MBTL1 4875/4885
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 HTT 4260/4885TDP1 612/4885L3MBTL1 4875/4885
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 HTT 4260/4885TDP1 612/4885L3MBTL1 4875/4885
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE5A HTT 4476/4885TDP1 127/4885L3MBTL1 4347/4885
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 HTT 4260/4885TDP1 612/4885L3MBTL1 4875/4885

“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.