SCHEMBL3979518

SCHEMBL3979518

Fc1cccc(CN(Cc2nccn2Cc2cc(Cl)cc(Cl)c2)CC2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ CDK9 P50750 3/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ PDE1C Q14123 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRD1 P41143 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ POLB P06746 1/20 0.33

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
SCHEMBL13720182 0.81 HSP90AA1 (0.42) HSP90AA1HSP90B1CDK9ALDH1A1OPRD1
SCHEMBL3983750 0.81 HSP90AA1 (0.43) HSP90AA1HSP90B1CDK9ALDH1A1PDE1C
SCHEMBL3978850 0.81 HSP90AA1 (0.43) HSP90AA1HSP90B1CDK9ALDH1A1PDE1C
SCHEMBL3978717 0.79 HSP90AA1 (0.46) HSP90AA1HSP90B1ALDH1A1OPRD1OPRK1
SCHEMBL13720814 0.79 HSP90AA1 (0.46) HSP90AA1HSP90B1CDK9ALDH1A1PDE1C
SCHEMBL3980102 0.78 HSP90AA1 (0.47) HSP90AA1HSP90B1PKMOPRD1OPRK1
SCHEMBL3984837 0.77 HSP90AA1 (0.45) HSP90AA1HSP90B1ALDH1A1PKMOPRD1
SCHEMBL3982292 0.77 CCNT1 (0.39) HSP90AA1HSP90B1CDK9ALDH1A1MEN1
SCHEMBL3981483 0.77 ALDH1A1 (0.41) HSP90AA1HSP90B1CDK9ALDH1A1PDE1C
SCHEMBL3981174 0.77 HSP90B1 (0.52) HSP90AA1HSP90B1OPRD1OPRK1MC1R

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 8 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
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
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 — — EP disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US disclosed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 HSP90AA1 675/4885HSP90B1 557/4885CDK9 1878/4885

“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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