SCHEMBL4253284

SCHEMBL4253284

CCCC(=O)NC(C(=O)CF)C(C(=O)OC(C)(C)C)c1ccnn(Cc2cccc(OC)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.38
FPR3 P25089 1/20 0.38
FPR2 P25090 1/20 0.38
PKM P14618 4/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AURKA O14965 1/20 0.35
GRK2 P25098 1/20 0.35
ROCK1 Q13464 1/20 0.35
RPS6KA1 Q15418 1/20 0.35
ROCK2 O75116 1/20 0.34
CACNA1B Q00975 1/20 0.34
MAPT P10636 1/20 0.34
LIPG Q9Y5X9 1/20 0.34

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
SCHEMBL4252758 0.90 MAOA (0.33) MAPT
SCHEMBL4258922 0.80 TSHR (0.36) ALDH1A1GAA
SCHEMBL4254518 0.79 ALDH1A1 (0.40) ALDH1A1MAPT
SCHEMBL4447381 0.77 PKM (0.37) FPR1FPR3FPR2PKMALDH1A1
SCHEMBL4253283 0.76 CACNA1B (0.38) FPR1FPR3FPR2PKMALDH1A1
SCHEMBL4254527 0.72 PRSS1 (0.34) PKMKDM4EMAPT
SCHEMBL13608163 0.71 PKM (0.41) FPR1FPR3FPR2PKMALDH1A1
SCHEMBL4257238 0.71 PKM (0.41) FPR1FPR3FPR2PKMALDH1A1
SCHEMBL4250409 0.71 CRHBP (0.38) ALDH1A1GAARXFP1KDM4EMAPT
SCHEMBL4255683 0.70 PKM (0.47) FPR1FPR3FPR2PKMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD LG LIFE SCIENCES LTD. (KR) 2009-11-26 US 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-20090291959-A1 CASPASE INHIBITORS BASED OF PYRIDAZINONE SCAFFOLD CASP1, CASP2, CASP5 FPR1 2792/4885FPR3 2753/4885FPR2 3046/4885

“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.