SCHEMBL1974190

SCHEMBL1974190

COC(=O)c1ccc2c(c1)nc(Nc1c(Cl)cncc1Cl)n2C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
LCK P06239 1/20 0.44
EHMT2 Q96KQ7 1/20 0.44
FGFR1 P11362 1/20 0.44
MKNK1 Q9BUB5 1/20 0.43
CSNK2A1 P68400 2/20 0.43
IDH1 O75874 4/20 0.43
PDE4D Q08499 1/20 0.42
ITK Q08881 1/20 0.41
ROCK2 O75116 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40

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
SCHEMBL16318619 0.89 HDAC6 (0.51) HDAC6KDM4ENPC1LMNAMAPT
SCHEMBL1971802 0.88 HDAC6 (0.52) HDAC6NPC1RAB9AEHMT2CSNK2A1
SCHEMBL3698616 0.80 HDAC6 (0.54) HDAC6KDM4ENPC1MAPTRAB9A
SCHEMBL19029395 0.79 KDM4E (0.56) HDAC6KDM4ENPC1LMNAMAPT
SCHEMBL1970441 0.79 TP53 (0.53) HDAC6NPC1MAPT
SCHEMBL3705491 0.78 PTGES (0.48) HDAC6NPC1MAPTIDH1
SCHEMBL1725802 0.77 ROCK2 (0.45) HDAC6KDM4ENPC1LMNAMAPT
SCHEMBL1965470 0.77 HDAC6 (0.56) HDAC6LCKEHMT2CSNK2A1CSNK2A2
SCHEMBL1965112 0.76 HDAC6 (0.49) HDAC6KDM4ENPC1LMNAMAPT
SCHEMBL31489 0.75 RAB9A (0.72) HDAC6KDM4ENPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
EP-2334664-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed
WO-2010034797-A1 1H-BENZIMIDAZOLE-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 (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-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents MAPRE2, MAPRE1, MAP4 HDAC6 208/4885KDM4E 178/4885NPC1 4699/4885

“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.