SCHEMBL1968284

SCHEMBL1968284

COc1cc2[nH]c(Nc3c(Cl)cccc3Cl)nc2cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC11 Q96DB2 1/20 0.52
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
POLB P06746 2/20 0.43
KLF5 Q13887 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
EGFR P00533 3/20 0.42
CLCN2 P51788 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ABL1 P00519 3/20 0.41
HSD17B10 Q99714 1/20 0.41
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
ZAP70 P43403 1/20 0.41
PTGES O14684 2/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
MET P08581 1/20 0.41

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
SCHEMBL3134113 0.96 HDAC11 (0.54) HDAC11NPC1RAB9APOLBKLF5
SCHEMBL16318318 0.91 HDAC11 (0.52) HDAC11NPC1RAB9APOLBKLF5
SCHEMBL1970971 0.89 HDAC11 (0.45) HDAC11NPC1RAB9APOLBKLF5
SCHEMBL1964541 0.88 HDAC11 (0.45) HDAC11NPC1RAB9APOLBKLF5
SCHEMBL16352237 0.87 HDAC11 (0.51) HDAC11NPC1RAB9APOLBKLF5
SCHEMBL1964691 0.86 POLB (0.45) HDAC11POLBEGFRABL1LCK
SCHEMBL16352208 0.85 PTGES (0.52) HDAC11NPC1RAB9APOLBKLF5
SCHEMBL1969553 0.85 LCK (0.46) HDAC11POLBEGFRCLCN2ABL1
SCHEMBL1966253 0.83 PTGES (0.42) HDAC11POLBABL1PTGES
SCHEMBL13393346 0.83 HDAC11 (0.52) HDAC11NPC1RAB9APOLBKLF5

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 HDAC11 158/4885NPC1 4650/4885RAB9A 867/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HDAC11 2169/4885NPC1 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.