SCHEMBL1743671

SCHEMBL1743671

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.47
BRD4 O60885 2/20 0.41
KDM4A O75164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CYP1A2 P05177 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CCR1 P32246 1/20 0.35
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 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 1.00 MBOAT4 (0.47) MBOAT4BRD4KDM4ANPSR1CYP1A2
SCHEMBL18517164 0.86 MBOAT4 (0.47) MBOAT4BRD4KDM4ANPSR1CYP1A2
SCHEMBL28923327 0.85 TRPM8 (0.40) MBOAT4BRD4NPSR1CYP1A2TDP1
SCHEMBL23982353 0.84 MBOAT4 (0.49) MBOAT4BRD4KDM4ANPSR1CYP1A2
SCHEMBL1742260 0.84 MBOAT4 (0.46) MBOAT4BRD4KDM4ANPSR1CYP1A2
SCHEMBL17819497 0.83 TRPM8 (0.37) MBOAT4BRD4NPSR1CYP1A2MRGPRX4
SCHEMBL29289937 0.83 BRD4 (0.40) MBOAT4BRD4NPSR1CYP1A2
Hydrochloric Acid SCHEMBL31098552 0.83 MBOAT4 (0.48) MBOAT4BRD4KDM4ANPSR1CYP1A2
SCHEMBL18157885 0.82 TDP1 (0.52) MBOAT4KDM4ACYP1A2TDP1KDM4E
SCHEMBL29289870 0.82 PARP1 (0.39) MBOAT4BRD4MEN1KMT2ANPC1

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 12 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
US-20100184761-A1 6-PHENYL-1H-IMIDAZO[4,5-c]PYRIDINE-4-CARBONITRILE DERIVATIVES N.V. ORGANON 2010-07-22 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 1491/4885KDM4A 2188/4885

“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.