SCHEMBL1968998

SCHEMBL1968998

Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3ccccc3)ccc21

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.65
RAB9A P51151 5/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NAMPT P43490 2/20 0.53
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
LCK P06239 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EGFR P00533 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
GAA P10253 1/20 0.46
PRSS12 P56730 1/20 0.46

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
SCHEMBL1971773 0.91 HDAC6 (0.56) HDAC6RAB9AMEN1KMT2ANAMPT
SCHEMBL1972328 0.90 HDAC6 (0.55) HDAC6RAB9AMEN1KMT2ANAMPT
SCHEMBL1973400 0.88 HDAC6 (0.50) HDAC6RAB9AMEN1KMT2ANAMPT
SCHEMBL1970553 0.87 MEN1 (0.59) HDAC6RAB9AMEN1KMT2ANAMPT
SCHEMBL1965470 0.86 HDAC6 (0.56) HDAC6HTTLCKHDAC1HDAC8
SCHEMBL1972073 0.85 GRM5 (0.52) HDAC6RAB9AMEN1KMT2ANAMPT
SCHEMBL13393025 0.85 HDAC6 (0.52) HDAC6RAB9AMEN1KMT2ANAMPT
SCHEMBL13393019 0.84 PTGES (0.52) HDAC6RAB9AMEN1KMT2ANPC1
SCHEMBL16352214 0.84 NPC1 (0.55) HDAC6RAB9AKMT2ANPC1LCK
SCHEMBL1337815 0.83 ALDH1A1 (0.48) HDAC6RAB9ANPC1ALDH1A1LMNA

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 9 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

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 177/4885RAB9A 867/4885MEN1 2080/4885
US-20150011513-A1 ALKYNE-, AZIDE- AND TRIAZOLE-CONTAINING FLAVONOIDS AS MODULATORS FOR MULTIDRUG RESISTANCE IN CANCERS ABCG2, ABCB1, ABCC1 HDAC6 2954/4885RAB9A 2559/4885MEN1 3942/4885

“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.