SCHEMBL3981174

SCHEMBL3981174

COC(=O)CN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 10/20 0.52
▸ HSP90AA1 P07900 10/20 0.52
▸ HSP90AB1 P08238 1/20 0.42
▸ OPRD1 P41143 3/20 0.38
▸ MC1R Q01726 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ P2RX7 Q99572 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ WDR5 P61964 1/20 0.36

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
SCHEMBL3978717 0.88 HSP90AA1 (0.46) HSP90B1HSP90AA1HSP90AB1OPRD1MC1R
SCHEMBL3980102 0.85 HSP90AA1 (0.47) HSP90B1HSP90AA1HSP90AB1OPRD1MC1R
SCHEMBL3983787 0.84 HSP90AA1 (0.47) HSP90B1HSP90AA1HSP90AB1OPRD1MC1R
SCHEMBL3984837 0.82 HSP90AA1 (0.45) HSP90B1HSP90AA1HSP90AB1OPRD1MC1R
SCHEMBL3986911 0.82 HSP90AA1 (0.46) HSP90B1HSP90AA1HSP90AB1OPRD1MC1R
SCHEMBL3978850 0.82 HSP90AA1 (0.43) HSP90B1HSP90AA1
SCHEMBL3983750 0.82 HSP90AA1 (0.43) HSP90B1HSP90AA1P2RX7OPRK1
SCHEMBL3982566 0.81 HSP90AA1 (0.45) HSP90B1HSP90AA1HSP90AB1OPRD1MC1R
SCHEMBL13720182 0.81 HSP90AA1 (0.42) HSP90B1HSP90AA1OPRD1MC1ROPRK1
SCHEMBL13720814 0.80 HSP90AA1 (0.46) HSP90B1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US claimed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 — — EP claimed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US claimed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — WO claimed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — 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 (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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 HSP90B1 557/4885HSP90AA1 675/4885HSP90AB1 436/4885

“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.

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