SCHEMBL1964392

SCHEMBL1964392

O=C(O)c1ccc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.55
POLB P06746 1/20 0.51
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
LCK P06239 4/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ZAP70 P43403 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CSNK2A1 P68400 3/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2B P67870 2/20 0.42
RORC P51449 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
DDX3X O00571 1/20 0.42
MAOB P27338 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
SCHEMBL1967311 0.92 AKR1C3 (0.50) AKR1C3POLBNPC1RAB9ACSNK2A1
SCHEMBL16318709 0.92 AKR1C3 (0.50) AKR1C3POLBPRKAG1PRKAA2PRKAB1
SCHEMBL3120881 0.90 POLB (0.54) AKR1C3POLBLCKNPC1RAB9A
SCHEMBL1965467 0.90 POLB (0.60) AKR1C3POLB
SCHEMBL13393275 0.89 LCK (0.46) AKR1C3POLBLCKEGFRSRC
SCHEMBL3128528 0.86 AKR1C3 (0.52) AKR1C3POLBPRKAG1PRKAA2PRKAB1
SCHEMBL1966454 0.86 AKR1C3 (0.54) AKR1C3POLBLCKNPC1RAB9A
SCHEMBL1963984 0.86 PTGES (0.52) AKR1C3POLBLCKNPC1RAB9A
SCHEMBL1965111 0.85 AKR1C3 (0.55) AKR1C3POLBLCKNPC1RAB9A
SCHEMBL3132437 0.84 CLCN2 (0.46) AKR1C3POLBMEN1KMT2AGAA

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 9 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
US-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 US disclosed
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 US disclosed
EP-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034796-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 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 (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 3740/4885PRKAG1 2146/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 AKR1C3 162/4885POLB 2321/4885PRKAG1 4128/4885

“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.