SCHEMBL3979590

SCHEMBL3979590

Fc1ccc(OCc2nccn2Cc2cc(Cl)cc(Cl)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.39
▸ HSP90B1 P14625 2/20 0.39
▸ NCOA1 Q15788 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NCOA3 Q9Y6Q9 1/20 0.37
▸ MAPK14 Q16539 2/20 0.37
▸ SLC6A4 P31645 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ EPHA2 P29317 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ EPHB4 P54760 1/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ FFAR1 O14842 1/20 0.35

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
SCHEMBL3981670 0.85 HSP90AA1 (0.39) HSP90AA1HSP90B1MAPK14SLC6A4ERBB2
SCHEMBL3978305 0.84 HSP90AA1 (0.43) HSP90AA1HSP90B1MAPK14KCNH2MAPT
SCHEMBL3986860 0.81 HSP90AA1 (0.43) HSP90AA1HSP90B1FFAR1
SCHEMBL3981009 0.81 HSP90AA1 (0.38) HSP90AA1HSP90B1ERBB2EPHA2KDR
SCHEMBL3977890 0.80 HSP90AA1 (0.38) HSP90AA1HSP90B1ERBB2EPHA2KDR
SCHEMBL13720239 0.77 ERBB2 (0.49) HSP90AA1HSP90B1ERBB2EPHA2KDR
SCHEMBL3978478 0.77 APP (0.41) HSP90AA1HSP90B1MAPK14KCNH2MAPT
SCHEMBL3986625 0.76 HSP90AA1 (0.49) HSP90AA1HSP90B1MAPK14ERBB2EPHA2
SCHEMBL3979725 0.75 HSP90AA1 (0.39) HSP90AA1HSP90B1NCOA1SMN1; SMN2L3MBTL1
SCHEMBL3983290 0.75 ERBB2 (0.44) HSP90AA1HSP90B1ERBB2EPHA2KDR

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 7 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
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 557/4885NCOA1 1910/4885

“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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