SCHEMBL3979622

SCHEMBL3979622

Nc1nccn1Cc1cc(Cl)cc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DBH P09172 1/20 0.44
KCNH2 Q12809 7/20 0.43
TLR8 Q9NR97 2/20 0.42
TYMP P19971 1/20 0.40
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
WDR5 P61964 2/20 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
SCHEMBL7508654 0.84 MEN1 (0.51) DBHKCNH2TLR8LMNAL3MBTL1
SCHEMBL10337115 0.79 DBH (0.44) DBHLMNAL3MBTL1MEN1ALDH1A1
SCHEMBL1126356 0.78 HSD17B10 (0.51) KCNH2TLR8LMNAL3MBTL1MEN1
SCHEMBL13720308 0.77 MAPT (0.45) DBHKCNH2LMNAL3MBTL1MEN1
SCHEMBL7506449 0.77 LMNA (0.40) KCNH2TLR8TYMPLMNAL3MBTL1
SCHEMBL3979814 0.76 KCNH2 (0.50) DBHKCNH2ALDH1A1
Hydrochloric Acid SCHEMBL3979066 0.76 MAPT (0.44) DBHKCNH2LMNAL3MBTL1MEN1
SCHEMBL7670390 0.75 ALDH1A1 (0.44) DBHKCNH2TLR8TYMPLMNA
SCHEMBL7686598 0.75 RAB9A (0.48) DBHKCNH2TLR8TYMPLMNA
SCHEMBL7499950 0.75 LMNA (0.68) LMNAL3MBTL1KMT2A

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 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 DBH 2139/4885KCNH2 3738/4885TLR8 214/4885

“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.