SCHEMBL3982292

SCHEMBL3982292

Fc1cccc(CN(CCN2CCNCC2)Cc2nccn2Cc2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ HTR6 P50406 9/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ CDK9 P50750 1/20 0.34
▸ CXCR4 P61073 2/20 0.33
▸ CLPP Q16740 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
SCHEMBL3981483 0.89 ALDH1A1 (0.41) CCNT1HSP90AA1HSP90B1HTR6MEN1
SCHEMBL3979505 0.85 HSP90AA1 (0.42) HSP90AA1HSP90B1HTR6MEN1ALDH1A1
SCHEMBL13720182 0.83 HSP90AA1 (0.42) HSP90AA1HSP90B1MEN1ALDH1A1KMT2A
SCHEMBL3978850 0.82 HSP90AA1 (0.43) HSP90AA1HSP90B1MEN1ALDH1A1KMT2A
SCHEMBL3980419 0.82 OPRD1 (0.43) CCNT1HSP90AA1HSP90B1CDK9
SCHEMBL3980102 0.80 HSP90AA1 (0.47) HSP90AA1HSP90B1MAOB
SCHEMBL3984837 0.79 HSP90AA1 (0.45) HSP90AA1HSP90B1ALDH1A1MAOB
SCHEMBL3983750 0.78 HSP90AA1 (0.43) HSP90AA1HSP90B1MEN1ALDH1A1KMT2A
SCHEMBL3979518 0.77 HSP90AA1 (0.39) HSP90AA1HSP90B1MEN1ALDH1A1KMT2A
SCHEMBL3983787 0.77 HSP90AA1 (0.47) HSP90AA1HSP90B1ALDH1A1MAOB

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 CCNT1 2006/4885HSP90AA1 675/4885HSP90B1 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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