SCHEMBL1970441

SCHEMBL1970441

Cn1c(Nc2c(Cl)cncc2Cl)nc2cc(C(=O)NC3CCCCC3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.53
MAPT P10636 5/20 0.53
POLB P06746 1/20 0.53
THRB P10828 1/20 0.49
HPGD P15428 3/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
NPC1 O15118 1/20 0.46
CNR2 P34972 1/20 0.45

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
SCHEMBL16352184 0.91 TP53 (0.56) TP53MAPTPOLBTHRBHPGD
SCHEMBL1968497 0.91 TP53 (0.56) TP53MAPTPOLBTHRBHPGD
SCHEMBL3705491 0.89 PTGES (0.48) TP53MAPTPOLBTHRBHPGD
SCHEMBL1971802 0.83 HDAC6 (0.52) HPGDHDAC6NPC1
SCHEMBL1973982 0.82 HPGD (0.51) TP53MAPTPOLBHPGDALDH1A1
SCHEMBL1973636 0.81 HDAC6 (0.47) TP53MAPTPOLBHPGDHDAC6
SCHEMBL16318485 0.80 PTGES (0.49) TP53MAPTPOLBHPGDHDAC6
SCHEMBL1974468 0.80 PTGES (0.57) TP53MAPTPOLBHPGDHDAC6
SCHEMBL1974377 0.80 HPGD (0.48) TP53MAPTPOLBTHRBHPGD
SCHEMBL1974764 0.80 PTGES (0.50) TP53MAPTPOLBHPGDHDAC6

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 13 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
EP-2334664-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP claimed
WO-2010034797-A1 1H-BENZIMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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
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
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 TP53 651/4885MAPT 515/4885POLB 3320/4885

“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.