SCHEMBL1965111

SCHEMBL1965111

Cc1cccc(C)c1Nc1nc2cc(C(=O)O)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
LCK P06239 1/20 0.43
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
PKM P14618 2/20 0.42
OPRK1 P41145 1/20 0.42
KLF5 Q13887 1/20 0.42
DDX3X O00571 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL16318709 0.92 AKR1C3 (0.50) AKR1C3POLBTDP1HSP90AA1ESR2
SCHEMBL13393091 0.86 AKR1C3 (0.49) AKR1C3POLBLCKNPC1RAB9A
SCHEMBL3130010 0.85 AKR1C3 (0.53) AKR1C3POLBTDP1HSP90AA1ESR2
SCHEMBL1964392 0.85 AKR1C3 (0.55) AKR1C3POLBLCKNPC1RAB9A
SCHEMBL3132437 0.82 CLCN2 (0.46) AKR1C3POLBTDP1HSP90AA1ESR2
SCHEMBL2929452 0.81 AKR1C3 (0.71) AKR1C3POLBNPC1RAB9APKM
SCHEMBL1967311 0.80 AKR1C3 (0.50) AKR1C3POLBNPC1RAB9ACSNK2A1
SCHEMBL3120881 0.80 POLB (0.54) AKR1C3POLBTDP1HSP90AA1ESR2
SCHEMBL1967728 0.79 LCK (0.54) AKR1C3LCKNPC1RAB9APKM
SCHEMBL2671311 0.79 AKR1C3 (0.50) AKR1C3POLBTDP1HSP90AA1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US claimed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US claimed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO claimed
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2015-01-08 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 (2 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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 AKR1C3 1724/4885POLB 3740/4885TDP1 2907/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 AKR1C3 162/4885POLB 2321/4885TDP1 915/4885

“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.