SCHEMBL3701439

SCHEMBL3701439

CCOc1cc2[nH]c(Nc3c(Cl)cncc3Cl)nc2cc1C(=O)NCc1ncccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.47
HSD17B13 Q7Z5P4 1/20 0.39
ADORA2A P29274 1/20 0.39
RAF1 P04049 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38

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
SCHEMBL3706721 0.93 PTGES (0.46) PTGESHSD17B13ADORA2ARAF1BRAF
SCHEMBL3704799 0.91 PTGES (0.41) PTGESSLC40A1
SCHEMBL3703312 0.89 PTGES (0.48) PTGESRAF1BRAF
SCHEMBL6124867 0.89 PTGES (0.42) PTGESADORA2A
SCHEMBL2683837 0.87 PTGES (0.44) PTGESHSD17B13ADORA2ASLC40A1
SCHEMBL13393347 0.87 PTGES (0.48) PTGESHSD17B13ADORA2ASLC40A1
SCHEMBL3701881 0.86 PTGES (0.41) PTGESHSD17B13
SCHEMBL1966319 0.86 PTGES (0.46) PTGESHSD17B13ADORA2ARAF1BRAF
SCHEMBL3710072 0.84 PTGES (0.64) PTGES
SCHEMBL3710323 0.84 HSD17B13 (0.43) PTGESHSD17B13ADORA2ASLC40A1

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 179/4885HSD17B13 4734/4885ADORA2A 4545/4885

“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.