SCHEMBL4026844

SCHEMBL4026844

COc1c(C)cc(C(=O)O)c2c3cc([N+](=O)[O-])ccc3n(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.42
F2RL3 Q96RI0 3/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
F2R P25116 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 3/20 0.41
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
GAA P10253 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 1/20 0.39
CTRB1 P17538 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4026840 1.00 MAPT (0.46) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL4030576 0.82 ALDH1A1 (0.47) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL5018020 0.82 ABCB11 (0.41) MAPTKMT2ASMN1; SMN2NPSR1ALDH1A1
SCHEMBL5016432 0.79 CDK2 (0.41) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL6531077 0.77 TUBB4A (0.43) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL5026571 0.77 TUBB4A (0.43) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL5737581 0.76 ALDH1A1 (0.43) MAPTMEN1KMT2AALDH1A1CTSV
SCHEMBL4026837 0.75 MAPT (0.45) MAPTLMNAF2RL3MEN1KMT2A
SCHEMBL4029757 0.75 MAPT (0.56) MAPTLMNAMEN1KMT2ANPSR1
SCHEMBL4029762 0.75 MAPT (0.56) MAPTLMNAMEN1KMT2ANPSR1

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 10 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
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 (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 MAPT 850/4885LMNA 3356/4885F2RL3 88/4885
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 MAPT 850/4885LMNA 3356/4885F2RL3 88/4885
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 MAPT 850/4885LMNA 3356/4885F2RL3 88/4885
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 MAPT 850/4885LMNA 3356/4885F2RL3 88/4885

“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.