SCHEMBL3705491

SCHEMBL3705491

Cn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(=O)NC3CCC(C)(C)CC3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.48
HPGD P15428 2/20 0.46
HDAC6 Q9UBN7 4/20 0.44
IDH1 O75874 3/20 0.43
TP53 P04637 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CHRM4 P08173 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
HPGDS O60760 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL1974468 0.91 PTGES (0.57) PTGESHPGDHDAC6IDH1TP53
SCHEMBL1968111 0.90 PTGES (0.51) PTGESHPGDHDAC6IDH1TP53
SCHEMBL1970441 0.89 TP53 (0.53) HPGDHDAC6TP53POLBMAPT
SCHEMBL1338923 0.85 PTGES (0.48) PTGESCHRM4HPGDS
SCHEMBL1972843 0.84 PTGES (0.57) PTGESHPGDHDAC6IDH1TP53
SCHEMBL16318485 0.84 PTGES (0.49) PTGESHPGDHDAC6TP53POLB
SCHEMBL3703319 0.83 PTGES (0.57) PTGES
SCHEMBL1974764 0.83 PTGES (0.50) PTGESHPGDHDAC6TP53POLB
SCHEMBL3704037 0.82 PTGES (0.49) PTGES
SCHEMBL1968497 0.81 TP53 (0.56) HPGDHDAC6TP53POLBMAPT

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
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US claimed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US claimed
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 US disclosed
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
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US disclosed
US-20120122930-A1 1H-Benzimidazole-5-Carboxamides As Anti-Inflammatory Agents BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-17 US 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 PTGES 179/4885HPGD 1266/4885HDAC6 208/4885

“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.