SCHEMBL1965112

SCHEMBL1965112

COC(=O)c1ccc(Nc2nc3cc(C(=O)Nc4ccc(Br)cc4)ccc3n2C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
PTGES O14684 3/20 0.44
PLAU P00749 1/20 0.44
PRSS12 P56730 1/20 0.44
RAF1 P04049 2/20 0.43
BRAF P15056 1/20 0.43
KDM4E B2RXH2 1/20 0.43
EHMT2 Q96KQ7 1/20 0.42
BRD4 O60885 1/20 0.42
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42

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
SCHEMBL1965455 0.91 HDAC6 (0.52) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393222 0.91 HDAC6 (0.51) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393360 0.90 HDAC6 (0.50) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393179 0.90 HDAC6 (0.52) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393175 0.90 NPC1 (0.52) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393358 0.88 HDAC6 (0.48) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393463 0.88 HDAC6 (0.50) HDAC6MEN1KMT2AATMNPC1
SCHEMBL1964550 0.85 HDAC6 (0.48) HDAC6MEN1KMT2AATMNPC1
SCHEMBL1971859 0.85 HDAC6 (0.51) HDAC6MEN1KMT2AATMNPC1
SCHEMBL13393022 0.84 NPC1 (0.52) HDAC6MEN1KMT2AATMNPC1

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 5 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-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 HDAC6 177/4885MEN1 2080/4885KMT2A 1047/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HDAC6 2954/4885MEN1 3942/4885KMT2A 3477/4885

“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.