SCHEMBL1965349

SCHEMBL1965349

Cn1c(Nc2cc(C(F)(F)F)ccc2Cl)nc2cc(C(=O)Nc3ccc(Br)cc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 2/20 0.49
PTGES O14684 2/20 0.48
HDAC6 Q9UBN7 3/20 0.48
CYP2C19 P33261 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDR P35968 1/20 0.44
TEK Q02763 1/20 0.44
HPGD P15428 1/20 0.44
BRAF P15056 3/20 0.44
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43

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
SCHEMBL1964550 0.93 HDAC6 (0.48) MEN1KMT2ALMNAPTGESHDAC6
SCHEMBL13393022 0.88 NPC1 (0.52) MEN1KMT2ALMNAPTGESHDAC6
SCHEMBL1966107 0.87 HDAC6 (0.52) MEN1KMT2ALMNAPTGESHDAC6
SCHEMBL13393357 0.87 HDAC6 (0.51) MEN1KMT2ALMNAPTGESHDAC6
SCHEMBL13393497 0.86 HDAC6 (0.50) MEN1KMT2ALMNAPTGESHDAC6
SCHEMBL3098320 0.84 PTGES (0.52) MEN1KMT2APTGESHDAC6MAPT
SCHEMBL13393028 0.84 HDAC6 (0.48) MEN1KMT2ALMNAPTGESHDAC6
SCHEMBL1968717 0.84 HDAC6 (0.48) MEN1KMT2APTGESHDAC6CYP2C19
SCHEMBL13393463 0.83 HDAC6 (0.50) MEN1KMT2APTGESHDAC6MAPT
SCHEMBL13393179 0.82 HDAC6 (0.52) MEN1KMT2APTGESHDAC6MAPT

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
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-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
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 MEN1 2080/4885KMT2A 1047/4885LMNA 2823/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 MEN1 3942/4885KMT2A 3477/4885LMNA 3163/4885

“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.