SCHEMBL3979802

SCHEMBL3979802

Clc1cc(Cl)cc(Cn2ccnc2CNCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.51
▸ HSP90AB1 P08238 1/20 0.43
▸ HSP90B1 P14625 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ VEGFA P15692 1/20 0.42
▸ EGLN1 Q9GZT9 1/20 0.42
▸ HDAC1 Q13547 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ FDPS P14324 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ NR3C1 P04150 1/20 0.39

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 0.91 CHRM2 (0.44) HSP90AA1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3979559 0.91 HSP90AA1 (0.44) HSP90AA1HSP90B1MEN1ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL10581220 0.89 HSP90AA1 (0.51) HSP90AA1HSP90AB1HSP90B1MEN1ALDH1A1
SCHEMBL3977716 0.88 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSP90B1MEN1ALDH1A1
SCHEMBL3985095 0.88 CYP1A2 (0.50) HSP90AA1HSP90B1MEN1ALDH1A1CYP1A2
SCHEMBL3986843 0.87 HSP90AA1 (0.45) HSP90AA1HSP90B1CYP1A2CYP3A4CYP2D6
SCHEMBL3977370 0.87 HSP90AA1 (0.47) HSP90AA1HSP90B1MEN1ALDH1A1CYP1A2
SCHEMBL3985965 0.86 TP53 (0.45) HSP90AA1HSP90AB1HSP90B1MEN1ALDH1A1
SCHEMBL3980911 0.84 HSP90AA1 (0.46) HSP90AA1HSP90AB1HSP90B1MEN1ALDH1A1
SCHEMBL3980220 0.84 HSP90AA1 (0.38) HSP90AA1HSP90B1

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
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 — — EP claimed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US claimed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 — — WO 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 675/4885HSP90AB1 436/4885HSP90B1 557/4885

“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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