SCHEMBL1963984

SCHEMBL1963984

O=C(Nc1ccccc1)c1ccc2[nH]c(Nc3c(Cl)cccc3Cl)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.52
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
AKR1C3 P42330 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48
DGAT1 O75907 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
MCL1 Q07820 1/20 0.47
MAOB P27338 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 1/20 0.47
ADORA1 P30542 1/20 0.47
PRSS12 P56730 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL1967728 0.93 LCK (0.54) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL13393271 0.93 PTGES (0.53) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL13393299 0.90 DGAT1 (0.48) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL16318424 0.90 RAB9A (0.51) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL1975663 0.90 DGAT1 (0.48) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL1975926 0.90 NPC1 (0.47) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL16364380 0.90 NPC1 (0.50) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL16364382 0.90 NPC1 (0.47) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL16318503 0.89 RXFP1 (0.50) PTGESNPC1RAB9AKMT2AMEN1
SCHEMBL13393296 0.89 KMT2A (0.53) PTGESNPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8916599-B2 1H-benz imidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2014-12-23 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
US-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 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
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 PTGES 118/4885NPC1 4650/4885RAB9A 867/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 PTGES 3823/4885NPC1 275/4885RAB9A 2559/4885

“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.