SCHEMBL1742260

SCHEMBL1742260

CN(C)C(=O)c1cccc(CCl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.46
BRD4 O60885 2/20 0.40
TDP1 Q9NUW8 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
MCL1 Q07820 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 3/20 0.37
KDM4A O75164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL31098603 0.84 MBOAT4 (0.47) MBOAT4BRD4TDP1ALDH1A1NPC1
SCHEMBL18517164 0.84 MBOAT4 (0.47) MBOAT4BRD4TDP1ALDH1A1NPC1
SCHEMBL1743671 0.84 MBOAT4 (0.47) MBOAT4BRD4TDP1ALDH1A1NPC1
SCHEMBL23982353 0.83 MBOAT4 (0.49) MBOAT4BRD4TDP1ALDH1A1NPC1
Hydrochloric Acid SCHEMBL31098552 0.81 MBOAT4 (0.48) MBOAT4BRD4TDP1MRGPRX4KDM4A
SCHEMBL18157885 0.81 TDP1 (0.52) MBOAT4TDP1ALDH1A1NPC1LMNA
SCHEMBL1057937 0.80 NPSR1 (0.43) BRD4TDP1ALDH1A1LMNASMN1; SMN2
SCHEMBL30885081 0.80 NPSR1 (0.43) BRD4TDP1ALDH1A1LMNASMN1; SMN2
Methyl Alcohol SCHEMBL29028982 0.79 KDM4E (0.57) BRD4TDP1LMNAL3MBTL1MRGPRX4
SCHEMBL458194 0.78 MRGPRX4 (0.41) BRD4TDP1ALDH1A1LMNAMRGPRX4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2387573-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS ORGANON BIOSCIENCES NEDERLAND B V (NL) 2013-07-31 EP disclosed
EP-2387573-B1 6-PHENYL-1H-IMIDAZO[4,5-C]PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS ORGANON BIOSCIENCES NEDERLAND B V (NL) 2013-07-31 EP disclosed
EP-2387573-A1 6-PHENYL-LH-IMIDAZO Ý4, 5-C¨PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. Organon (NL) 2011-11-23 EP disclosed
US-20110253004-A1 RAILCAR PRIMARY SUSPENSION KAWASAKI JUKOGYO KABUSHIKI KAISHA (JP) 2011-10-20 US disclosed
US-8026236-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-09-27 US disclosed
US-8026236-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-09-27 US disclosed
US-8026236-B2 6-phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile derivatives N.V. ORGANON (NL) 2011-09-27 US disclosed
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 US disclosed
WO-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 WO disclosed
WO-2010081859-A1 6-PHENYL-LH-IMIDAZO [4, 5-C] PYRIDINE-4-CARBONITRILE DERIVATIVES AS CATHEPSIN S AND/OR CATHEPSIN K INHIBITORS N.V. ORGANON (NL) 2010-07-22 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-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES CTSS, CTSV, CTSB MBOAT4 4266/4885BRD4 1491/4885TDP1 2953/4885

“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.