SCHEMBL2473462

SCHEMBL2473462

CCCCc1ccc(F)c2nc(C)c(C)c(OC(C)=O)c12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.37
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
METAP2 P50579 1/20 0.32
TYR P14679 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
FPR1 P21462 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30

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
SCHEMBL14127075 0.87 KDM4E (0.31) METAP2KDM4EALDH1A1LMNAHPGD
SCHEMBL27543159 0.79 TYR (0.40) ALOX5METAP2TYRKDM4EALDH1A1
SCHEMBL6076307 0.75 EIF4A1 (0.35) ALOX5KDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL2820985 0.70 MMP13 (0.34) KDM4ECYP4F2CYP4A11ALDH1A1LMNA
SCHEMBL8134178 0.70 HTT (0.39) KDM4EALDH1A1LMNAHPGD
SCHEMBL6077824 0.69 ALOX5 (0.36) ALOX5KDM4EALDH1A1LMNAHPGD
SCHEMBL6078666 0.69 ALOX5 (0.36) ALOX5KDM4ECYP4F2CYP4A11ALDH1A1
SCHEMBL6077311 0.68 ALOX5 (0.36) ALOX5KDM4EHPGD
SCHEMBL6076169 0.67 ALOX5 (0.34) ALOX5KDM4EALDH1A1LMNAHPGD
SCHEMBL5833263 0.67

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
WO-2011110583-A2 FUNGICIDAL MIXTURES COMPRISING TRIAZOLE DERIVATIVES BASF SE (DE) 2011-09-15 WO claimed
US-11912684-B2 N-(4-pyridyl)nicotinamide compound or salt thereof ISHIHARA SANGYO KAISHA, LTD. (JP) 2024-02-27 US disclosed
EP-3617196-B1 N-(4-PYRIDYL) NICOTINAMIDE COMPOUND OR SALT THEREOF ISHIHARA SANGYO KAISHA (JP) 2023-06-07 EP disclosed
US-20210115015-A1 N-(4-PYRIDYL)NICOTINAMIDE COMPOUND OR SALT THEREOF ISHIHARA SANGYO KAISHA, LTD. (JP) 2021-04-22 US disclosed
EP-3617196-A1 N-(4-PYRIDYL) NICOTINAMIDE COMPOUND OR SALT THEREOF Ishihara Sangyo Kaisha, Ltd. (JP) 2020-03-04 EP disclosed
WO-2011110583-A2 FUNGICIDAL MIXTURES COMPRISING TRIAZOLE DERIVATIVES BASF SE (DE) 2011-09-15 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 (2 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-20210115015-A1 N-(4-PYRIDYL)NICOTINAMIDE COMPOUND OR SALT THEREOF NAMPT, NAPRT, NNT ALOX5 1143/4885PPARG 2458/4885PPARA 1280/4885
US-11912684-B2 N-(4-pyridyl)nicotinamide compound or salt thereof NAMPT, NAPRT, NNT ALOX5 1143/4885PPARG 2458/4885PPARA 1280/4885

“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.