SCHEMBL4073897

SCHEMBL4073897

NC(=O)c1cnccc1/C=C/c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT3 Q9NTG7 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP1B1 Q16678 1/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 2/20 0.42
CCNC P24863 2/20 0.42
CDK8 P49336 2/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4073902 1.00 SIRT3 (0.47) SIRT3TDP1CYP11B1CYP11B2SIRT2
SCHEMBL27185866 0.87 CYP11B1 (0.50) TDP1CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL28308669 0.84 SIRT3 (0.45) SIRT3TDP1CYP11B1CYP11B2SIRT2
SCHEMBL7390257 0.81 JUN (0.46) SIRT2CYP1A1CYP1A2CYP3A4CYP2D6
SCHEMBL29784506 0.81 CYP1A2 (0.50) CYP11B1CYP11B2CYP1A1CYP1A2CYP3A4
SCHEMBL3639133 0.80 SIRT2 (0.57) TDP1SIRT2CYP1A2CYP2D6KDM4E
SCHEMBL2037764 0.80 SIRT2 (0.57) TDP1SIRT2CYP1A2CYP2D6KDM4E
SCHEMBL31678976 0.80 SIRT2 (0.57) TDP1SIRT2CYP1A2CYP2D6KDM4E
SCHEMBL21056630 0.79 CYP11B1 (0.52) TDP1CYP11B1CYP11B2CYP1A1CYP1A2
SCHEMBL21063712 0.79 CYP11B1 (0.52) TDP1CYP11B1CYP11B2CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601736-B2 Such as 3,4-dihydro-pyrano[3,4-c]pyridine-1-on; cytokine suppressive antiinflammatory drugs; analgesics SK CHEMICALS CO., LTD. (KR) 2009-10-13 US disclosed
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
US-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same SK CHEMICALS CO., LTD. (KR) 2007-11-01 US disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 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-20070254909-A1 Novel Pyridine Derivatives, a Process for Their Preparation and a Pharmaceutical Composition Containing the Same IL5, IL1B, P2RY4 SIRT3 584/4885TDP1 4050/4885CYP11B1 379/4885

“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.