SCHEMBL3132015

SCHEMBL3132015

O=C(O)c1ccc2[nH]c(Nc3cc(Cl)ccc3OC(F)(F)F)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
EGLN1 Q9GZT9 3/20 0.42
ALPL P05186 1/20 0.41
AKR1C3 P42330 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KLF5 Q13887 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.39
CSNK2A1 P68400 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
AURKA O14965 1/20 0.37
CHEK2 O96017 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL3126228 0.86 AURKA (0.50) POLBEGLN1AKR1C3MTORNPC1
SCHEMBL1974677 0.84 MTOR (0.41) POLBMTORKMT2ANPC1RAB9A
SCHEMBL1968399 0.82 POLB (0.58) POLBAKR1C3KMT2ANPC1RAB9A
SCHEMBL16318588 0.82 NPC1 (0.50) POLBMTORKMT2ANPC1RAB9A
SCHEMBL2924505 0.80 POLB (0.58) POLBAKR1C3KMT2ANPC1RAB9A
SCHEMBL2930334 0.78 SMN1; SMN2 (0.50) POLBAKR1C3MTORNPC1RAB9A
SCHEMBL20685375 0.78 MTOR (0.55) POLBAKR1C3MTORKMT2ASMN1; SMN2
SCHEMBL13393462 0.77 MTOR (0.43) POLBMTORKMT2ANPC1RAB9A
SCHEMBL3118378 0.75 AKR1C3 (0.47) POLBAKR1C3KMT2ANPC1RAB9A
SCHEMBL1966454 0.74 AKR1C3 (0.54) POLBAKR1C3NPC1RAB9ACSNK2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 POLB 3740/4885EGLN1 2633/4885ALPL 4200/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 POLB 2321/4885EGLN1 3671/4885ALPL 4807/4885

“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.