SCHEMBL3977370

SCHEMBL3977370

Fc1cccc(CNCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.47
▸ HSP90B1 P14625 2/20 0.47
▸ POLB P06746 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ DBH P09172 1/20 0.39
▸ ADRA1D P25100 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CDK9 P50750 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37

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
SCHEMBL3981529 0.90 CHRM2 (0.44) HSP90AA1DBHCYP1A2CYP3A4CYP2D6
SCHEMBL3981914 0.88 HSP90AA1 (0.37) HSP90AA1HSP90B1DBHWDR5
SCHEMBL3977716 0.87 HSP90AA1 (0.42) HSP90AA1HSP90B1CYP1A2CYP3A4CYP2D6
SCHEMBL3986843 0.87 HSP90AA1 (0.45) HSP90AA1HSP90B1THRBCYP1A2CYP3A4
SCHEMBL3979802 0.87 HSP90AA1 (0.51) HSP90AA1HSP90B1CYP1A2CYP3A4CYP2D6
SCHEMBL3980220 0.86 HSP90AA1 (0.38) HSP90AA1HSP90B1DBHWDR5
SCHEMBL3979725 0.84 HSP90AA1 (0.39) HSP90AA1HSP90B1MEN1KMT2AWDR5
SCHEMBL3979559 0.83 HSP90AA1 (0.44) HSP90AA1HSP90B1POLBDBHCYP1A2
SCHEMBL3985095 0.82 CYP1A2 (0.50) HSP90AA1HSP90B1POLBCYP1A2CYP2D6
SCHEMBL3986917 0.82 HSP90AA1 (0.38) HSP90AA1HSP90B1CYP1A2CYP2C19MEN1

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 557/4885POLB 1345/4885

“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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