SCHEMBL1301737

SCHEMBL1301737

O=C(O)c1ccc(OC(F)F)c2oc3ccc([N+](=O)[O-])cc3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PDE4D Q08499 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 3/20 0.40
HTT P42858 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL13620937 0.90 PDE4D (0.46) MAOAMAOBPDE4DPDE4APDE4B
SCHEMBL8267950 0.87 KMT2A (0.43) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL1751525 0.85 ALDH1A1 (0.48) MAOAMAOBALDH1A1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL4026672 0.84 ALDH1A1 (0.47) MAOAMAOBALDH1A1CYP3A4ALOX15
SCHEMBL13620929 0.83 MAPT (0.40) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL14364552 0.83 MAOA (0.41) MAOAMAOBALDH1A1CYP3A4ALOX15
SCHEMBL14457761 0.82 PDE4D (0.57) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL4350121 0.81 MEN1 (0.37) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL1302395 0.81 PTPN1 (0.44) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL4755347 0.81 PDE4D (0.69) PDE4DPDE4APDE4BPDE4CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7563900-B2 Process for the preparation N-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy-8-methane sulfonamido-dibenzo[b,d]furan-1-carboxamide GLENMARK PHARMACEUTICALS S.A. (CH) 2009-07-21 US claimed
US-7511150-B2 Synthesis of heterocyclic compounds FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-03-31 US claimed
WO-2008005955-A9 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LAB HOLDINGS LTD 2008-04-03 WO claimed
WO-2008005955-A2 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 WO claimed
US-20080009632-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-01-10 US claimed
EP-1799632-A2 PROCESS FOR THE PREPARATION OF N-(3,5-DICHLOROPYRID-4-YL)-4-DIFLUOROMETHOXY-8-METHANESULFONAMIDO-DIBENZO[B,D]FURAN-1-CARBOXAMIDE Glenmark Pharmaceuticals S.A. (CH) 2007-06-27 EP claimed
US-20060135779-A1 Process for the preparation n-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy-8-methane sulfonamido-dibenzo[b,d]furan-1-carboxamide GLENMARK PHARMACEUTICALS S.A. (CH) 2006-06-22 US claimed
WO-2006040652-A2 PROCESS FOR THE PREPARATION OF N-(3,5-DICHLOROPYRID-4-YL)-4DIFLUOROMETHOXY-8-METHANESULFONAMIDO-DIBENZO[B,D]FURAN-1-CARBOXAMIDE GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO claimed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-8580795-B2 Heterocyclic compounds as phosphodiesterase inhibitors ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2013-11-12 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS ORCHID RESEARCH LABORATORIES LTD. (IN) 2011-11-03 US disclosed
WO-2006040652-A2 PROCESS FOR THE PREPARATION OF N-(3,5-DICHLOROPYRID-4-YL)-4DIFLUOROMETHOXY-8-METHANESULFONAMIDO-DIBENZO[B,D]FURAN-1-CARBOXAMIDE GLENMARK PHARMACEUTICALS S.A. (US) 2006-04-20 WO 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 (4 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-20060135779-A1 Process for the preparation n-(3,5-dichloropyrid-4-yl)-4-difluoromethoxy-8-methane sulfonamido-dibenzo[b,d]furan-1-carboxamide HCN4, REN, QDPR MAOA 2230/4885MAOB 1522/4885PDE4D 378/4885
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 MAOA 124/4885MAOB 197/4885PDE4D 4/4885
US-20080009632-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FDPS, DHPS, AADAC MAOA 362/4885MAOB 323/4885PDE4D 1209/4885
US-20110269753-A1 HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE4C MAOA 251/4885MAOB 325/4885PDE4D 4/4885

“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.