SCHEMBL3320128

SCHEMBL3320128

Cc1cc(C)c2ccc(=O)[nH]c2n1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
KMT2A Q03164 3/20 0.64
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.64
ADORA1 P30542 7/20 0.43
ADORA2A P29274 5/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL5366325 0.82 SMN1; SMN2 (0.45) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL11465109 0.80 ADORA1 (0.46) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL11723044 0.78 AR (0.44) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL11724059 0.78 FABP4 (0.43) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL11726649 0.76 KDM4E (0.39) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL11723632 0.76 KDM4E (0.40) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL7978388 0.75 ADORA1 (0.61) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL5368416 0.75 LMNA (0.53) KDM4EKMT2AALDH1A1MEN1ADORA1
SCHEMBL11591322 0.75 KDM4E (0.53) KDM4EKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL4136622 0.72 PDE3B (0.47) KDM4EKMT2AADORA1ADORA2ARAB9A

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-8258301-B2 Urotensin II receptor antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-04 US disclosed
US-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-13 US disclosed
EP-2155748-A1 UROTENSIN II RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-02-24 EP disclosed
WO-2008144268-A1 UROTENSIN II RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-11-27 WO disclosed
EP-0446604-A2 Pyridine and related aza heterocycle derivatives as cardiovascular agents AMERICAN CYANAMID COMPANY (US) 1991-09-18 EP disclosed
US-4229456-A SUPPRESSION OF GASTRIC SECRETIONS MERCK & CO., INC. (US) 1980-10-21 US disclosed
EP-0000490-A1 Substituted naphthyridinones, processes for their preparations and therapeutical applications MERCK & CO. INC. (US) 1979-02-07 EP disclosed
US-4133885-A GASTRIC SECRETIONS INHIBITORS MERCK & CO., INC. (US) 1979-01-09 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 (1 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-20100121051-A1 UROTENSIN II RECEPTOR ANTAGONISTS UTS2R, AGTR1, AGTR2 KDM4E 4548/4885KMT2A 3837/4885ALDH1A1 4397/4885

“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.