SCHEMBL3977340

SCHEMBL3977340

CCN(Cc1ccccc1)Cc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ HSP90AA1 P07900 2/20 0.48
▸ HSP90AB1 P08238 1/20 0.41
▸ HSP90B1 P14625 1/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ CRHR1 P34998 1/20 0.38
▸ BRD4 O60885 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
SCHEMBL3982879 0.86 HSP90AA1 (0.49) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL27951252 0.86 HSP90AA1 (0.51) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL3985913 0.85 HSP90AA1 (0.50) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL3981414 0.76 HSP90AA1 (0.51) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL3979802 0.76 HSP90AA1 (0.51) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL3978850 0.76 HSP90AA1 (0.43) MEN1ALDH1A1KMT2AHSP90AA1HSP90B1
SCHEMBL3983750 0.76 HSP90AA1 (0.43) MEN1ALDH1A1KMT2AHSP90AA1HSP90B1
SCHEMBL3986625 0.74 HSP90AA1 (0.49) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1
SCHEMBL13720182 0.74 HSP90AA1 (0.42) MEN1ALDH1A1KMT2AHSP90AA1HSP90B1
SCHEMBL156000 0.74 HSP90AA1 (0.56) MEN1ALDH1A1KMT2AHSP90AA1HSP90AB1

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 MEN1 3945/4885ALDH1A1 421/4885KMT2A 2447/4885

“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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