SCHEMBL3979725

SCHEMBL3979725

Fc1ccc(F)c(CNCc2nccn2Cc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.39
▸ HSP90B1 P14625 3/20 0.39
▸ WDR5 P61964 5/20 0.38
▸ HTR2A P28223 3/20 0.37
▸ HTR2C P28335 3/20 0.37
▸ SLC6A4 P31645 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ KCNH2 Q12809 2/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ NCOA1 Q15788 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ NCOA3 Q9Y6Q9 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
SCHEMBL3980911 0.88 HSP90AA1 (0.46) HSP90AA1HSP90B1MEN1KMT2AL3MBTL1
SCHEMBL3986843 0.87 HSP90AA1 (0.45) HSP90AA1HSP90B1WDR5RAB9A
SCHEMBL3986917 0.84 HSP90AA1 (0.38) HSP90AA1HSP90B1MEN1KMT2AKCNH2
SCHEMBL3977370 0.84 HSP90AA1 (0.47) HSP90AA1HSP90B1WDR5MEN1KMT2A
SCHEMBL3980220 0.83 HSP90AA1 (0.38) HSP90AA1HSP90B1WDR5KCNH2
SCHEMBL3981914 0.83 HSP90AA1 (0.37) HSP90AA1HSP90B1WDR5KCNH2
SCHEMBL3985965 0.81 TP53 (0.45) HSP90AA1HSP90B1MEN1KMT2AL3MBTL1
SCHEMBL3978844 0.81 HSP90AA1 (0.50) HSP90AA1HSP90B1MEN1KMT2AP2RX7
SCHEMBL3979559 0.80 HSP90AA1 (0.44) HSP90AA1HSP90B1MEN1KMT2AKCNH2
SCHEMBL3979802 0.79 HSP90AA1 (0.51) HSP90AA1HSP90B1MEN1KMT2A

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 557/4885WDR5 1901/4885

“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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