SCHEMBL3985913

SCHEMBL3985913

CN(Cc1ccccc1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 2/20 0.50
▸ KMT2A Q03164 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSP90AB1 P08238 1/20 0.43
▸ HSP90B1 P14625 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ ALOX12 P18054 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 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
SCHEMBL13720814 0.87 HSP90AA1 (0.46) HSP90AA1KMT2ARAB9AL3MBTL1HSP90B1
SCHEMBL3977340 0.85 MEN1 (0.49) HSP90AA1KMT2AHSP90AB1HSP90B1ALDH1A1
SCHEMBL3982879 0.81 HSP90AA1 (0.49) HSP90AA1KMT2AHSP90AB1HSP90B1ALDH1A1
SCHEMBL3979802 0.78 HSP90AA1 (0.51) HSP90AA1KMT2AHSP90AB1HSP90B1ALDH1A1
SCHEMBL3981414 0.78 HSP90AA1 (0.51) HSP90AA1KMT2ARAB9AL3MBTL1HSP90AB1
SCHEMBL3986625 0.76 HSP90AA1 (0.49) HSP90AA1KMT2AHSP90AB1HSP90B1ALDH1A1
SCHEMBL13720308 0.74 MAPT (0.45) HSP90AA1KMT2ARAB9AL3MBTL1HSP90AB1
SCHEMBL3977346 0.74 HSP90AA1 (0.47) HSP90AA1KMT2AHSP90AB1HSP90B1ALDH1A1
SCHEMBL21776431 0.74 RAB9A (0.43) HSP90AA1KMT2ARAB9AL3MBTL1HSP90AB1
SCHEMBL27951252 0.74 HSP90AA1 (0.51) HSP90AA1KMT2AHSP90AB1HSP90B1ALDH1A1

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 675/4885KMT2A 2447/4885RAB9A 3760/4885

“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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