SCHEMBL3978503

SCHEMBL3978503

NC(=O)C1CCN(C(=O)CCN(Cc2cccc(F)c2)C(Cc2cc(Cl)cc(Cl)c2)c2ncc[nH]2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
FDFT1 P37268 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
F10 P00742 1/20 0.34
MAOB P27338 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
C3AR1 Q16581 1/20 0.33
CETP P11597 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NR1H4 Q96RI1 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
SCHEMBL3984838 0.85 PPARG (0.35) KMT2AMAOB
SCHEMBL3980103 0.82 PKM (0.40) KMT2AALDH1A1
SCHEMBL3978719 0.81 PPARG (0.36) KMT2AMAOBALDH1A1
SCHEMBL3979508 0.79 CYP2D6 (0.35) ALDH1A1
SCHEMBL3978497 0.78 HSP90AA1 (0.38) KMT2AL3MBTL1MAOBKDM4EPOLB
SCHEMBL3978853 0.78 TAAR1 (0.38) KMT2AKDM4E
SCHEMBL3982294 0.76 CCNT1 (0.38) MAOBKDM4EALDH1A1
SCHEMBL3983790 0.76 OPRM1 (0.37) ALDH1A1NR1H4
SCHEMBL3979520 0.76 PSEN1 (0.37) L3MBTL1ALDH1A1
SCHEMBL3981484 0.76 ALDH1A1 (0.41) KMT2APOLBALDH1A1

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 6 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
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 KMT2A 2447/4885FDFT1 1687/4885L3MBTL1 3097/4885

“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.