SCHEMBL4030900

SCHEMBL4030900

COc1ccc(NC(=O)c2ccc(OC)c3oc4ccc([N+](=O)[O-])cc4c23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.57
MAPT P10636 6/20 0.57
MEN1 O00255 6/20 0.57
NPC1 O15118 3/20 0.57
HSP90AA1 P07900 1/20 0.57
PKM P14618 1/20 0.57
PAX8 Q06710 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 2/20 0.50
ALOX5 P09917 1/20 0.50
POLB P06746 2/20 0.49
THRB P10828 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PTGS2 P35354 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 0.47
EGFR P00533 1/20 0.47

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
SCHEMBL4028222 0.91 MEN1 (0.53) KMT2AMAPTMEN1NPC1HSP90AA1
SCHEMBL4036023 0.90 PDE4A (0.57) KMT2AMAPTMEN1NPC1HSP90AA1
SCHEMBL4033553 0.84 SMN1; SMN2 (0.56) KMT2AMAPTMEN1NPC1NPSR1
SCHEMBL4028228 0.84 PDE4A (0.47) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL4027791 0.84 PDE4D (0.49) KMT2AMAPTMEN1NPC1ALDH1A1
SCHEMBL1751525 0.82 ALDH1A1 (0.48) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL6526531 0.82 PDE4D (0.55) POLBPTGS2SMN1; SMN2
SCHEMBL4033314 0.81 PDE4D (0.59) PTGS2
SCHEMBL1750895 0.81 HTT (0.43) KMT2AMEN1NPC1PKMNPSR1
Hydrochloric Acid SCHEMBL4026672 0.81 ALDH1A1 (0.47) KMT2AMEN1NPC1ALDH1A1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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-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 KMT2A 3927/4885MAPT 850/4885MEN1 4058/4885
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 KMT2A 3927/4885MAPT 850/4885MEN1 4058/4885
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 KMT2A 3927/4885MAPT 850/4885MEN1 4058/4885
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 KMT2A 3927/4885MAPT 850/4885MEN1 4058/4885

“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.