SCHEMBL1967728

SCHEMBL1967728

Cc1cccc(Cl)c1Nc1nc2cc(C(=O)Nc3ccccc3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LCK P06239 5/20 0.54
PTGES O14684 3/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC11 Q96DB2 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
AKR1C3 P42330 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
DGAT1 O75907 1/20 0.45
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
OPRK1 P41145 1/20 0.44
KLF5 Q13887 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.44

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
SCHEMBL1963984 0.93 PTGES (0.52) LCKPTGESNPC1RAB9AMEN1
SCHEMBL13393091 0.93 AKR1C3 (0.49) LCKNPC1RAB9AMEN1KMT2A
SCHEMBL16364381 0.90 NPC1 (0.49) LCKPTGESNPC1RAB9AMEN1
SCHEMBL13393271 0.88 PTGES (0.53) PTGESNPC1RAB9AMEN1KMT2A
SCHEMBL16318424 0.88 RAB9A (0.51) PTGESNPC1RAB9AMEN1KMT2A
SCHEMBL16318709 0.87 AKR1C3 (0.50) LCKPTGESHDAC11AKR1C3
SCHEMBL13393449 0.87 MAPT (0.50) LCKPTGESNPC1RAB9AMEN1
SCHEMBL16318503 0.87 RXFP1 (0.50) PTGESNPC1RAB9AMEN1KMT2A
SCHEMBL16363568 0.86 MAPT (0.51) PTGESNPC1RAB9AMEN1KMT2A
SCHEMBL1967573 0.84 MAPT (0.48) NPC1RAB9AMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20110312935-A1 1H-Benz Imidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, H1-4 LCK 1306/4885PTGES 118/4885NPC1 4650/4885

“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.