SCHEMBL5734170

SCHEMBL5734170

CC(=O)Nc1ccc2c(c1)C(C)(C)CN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA9 P38646 4/20 0.49
NQO2 P16083 1/20 0.47
MAOA P21397 2/20 0.45
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4A O75164 1/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
CYP1A2 P05177 2/20 0.42
ADRA2A P08913 1/20 0.42

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
SCHEMBL11513619 0.81 HSPA9 (0.42) HSPA9NQO2MEN1MAPTKMT2A
SCHEMBL11810345 0.80 RARB (0.44) HSPA9MEN1MAPTKMT2APDK2
SCHEMBL9382451 0.79 HDAC3 (0.65) HSPA9NQO2MAOAPOLBMEN1
SCHEMBL9380015 0.78 CA12 (0.47) MAOAPOLBMEN1MAPTKMT2A
SCHEMBL3935697 0.74 RARB (0.64) MAOAPOLBMEN1MAPTKMT2A
SCHEMBL10696147 0.74 NQO2 (0.61) NQO2MAOAPOLBMEN1MAPT
SCHEMBL31456579 0.73 RARB (0.53) POLBMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL11513542 0.73 MEN1 (0.55) NQO2MAOAPOLBMEN1MAPT
SCHEMBL29549395 0.71 MEN1 (0.52) NQO2POLBMEN1MAPTKMT2A
SCHEMBL3150642 0.71 HDAC3 (0.52) NQO2MAOAPOLBMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1690854-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
US-7026476-B2 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-04-11 US disclosed
US-7019006-B2 Modulating release of inflammatory cytokines by administering, e.g., a 1-(5-tert-butyl-2-methyl-phenyl)-3-(6-((3-methoxy-propyl)-methylaminopyridin-3-yl)phthalen-1-yl) urea or thiourea; treating a neutrophil-mediated disease BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1466906-A1 Heterocyclic urea and related compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-13 EP disclosed
EP-1165516-B1 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMA (US) 2004-10-06 EP disclosed
US-20040019038-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-01-29 US disclosed
US-20030225077-A1 Intermediate arylamine compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-6656933-B2 Novel compounds which inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-02 US disclosed
US-20020082256-A1 Compounds useful as anti-inflammatory agents BETAGERI RAJASHEHAR (US) 2002-06-27 US disclosed
US-6358945-B1 CYTOKINE, TUMOR NECROSIS FACTOR, AND INTERLEUKIN INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-19 US disclosed
EP-1165516-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-01-02 EP disclosed
WO-2000055139-A2 HETEROCYCLIC UREA AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed
US-4863945-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0271040-A2 Pyrrolobenzimidazoles, process for their preparation, and medicaments Roche Diagnostics GmbH (DE) 1988-06-15 EP 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 (3 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-20030225077-A1 Intermediate arylamine compounds AHR, AADAC, NAT1 HSPA9 2155/4885NQO2 666/4885MAOA 62/4885
US-20020082256-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO HSPA9 1186/4885NQO2 1039/4885MAOA 680/4885
US-20040019038-A1 Compounds useful as anti-inflammatory agents NFKBIA, TNF, MPO HSPA9 1186/4885NQO2 1039/4885MAOA 680/4885

“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.