SCHEMBL3986911

SCHEMBL3986911

CNC(=O)NCCN(Cc1cccc(F)c1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 5/20 0.46
▸ HSP90B1 P14625 4/20 0.46
▸ CNR1 P21554 2/20 0.37
▸ MARS1 P56192 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.36
▸ MC1R Q01726 1/20 0.36
▸ CDK9 P50750 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ MDM4 O15151 1/20 0.35
▸ MDM2 Q00987 1/20 0.35
▸ GPR52 Q9Y2T5 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ WDR5 P61964 1/20 0.34
▸ OPRM1 P35372 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL3983787 0.91 HSP90AA1 (0.47) HSP90AA1HSP90B1CNR1HSP90AB1MC1R
SCHEMBL3981441 0.87 HSP90AA1 (0.43) HSP90AA1HSP90B1HSP90AB1CDK9GPR52
SCHEMBL3982566 0.87 HSP90AA1 (0.45) HSP90AA1HSP90B1HSP90AB1MC1RCDK9
SCHEMBL3980102 0.86 HSP90AA1 (0.47) HSP90AA1HSP90B1HSP90AB1MC1RMAOB
SCHEMBL3984837 0.83 HSP90AA1 (0.45) HSP90AA1HSP90B1HSP90AB1MC1RMAOB
SCHEMBL3978850 0.82 HSP90AA1 (0.43) HSP90AA1HSP90B1CDK9BRD4ALDH1A1
SCHEMBL3981174 0.82 HSP90B1 (0.52) HSP90AA1HSP90B1HSP90AB1MC1RMAOB
SCHEMBL13720182 0.81 HSP90AA1 (0.42) HSP90AA1HSP90B1MC1RCDK9OPRD1
SCHEMBL3978717 0.81 HSP90AA1 (0.46) HSP90AA1HSP90B1HSP90AB1MC1RMAOB
SCHEMBL3979505 0.79 HSP90AA1 (0.42) HSP90AA1HSP90B1OPRD1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US 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
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 — — US disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — 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 HSP90AA1 675/4885HSP90B1 557/4885CNR1 1505/4885

“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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