SCHEMBL4250409

SCHEMBL4250409

CCCC(=O)NC(C(=O)CF)C(C(=O)O)c1ccnn(Cc2ccccc2C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 4/20 0.36
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPBWR1 P48145 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4254527 0.89 PRSS1 (0.34) MAPTKDM4ENPBWR1NPC1HTT
SCHEMBL4254518 0.84 ALDH1A1 (0.40) MAPTTP53SMN1; SMN2NPBWR1POLB
SCHEMBL13608160 0.74 CASP3 (0.41) NPBWR1
SCHEMBL4250398 0.74 CASP3 (0.41) NPBWR1
SCHEMBL4251545 0.73 NPBWR1 (0.35) MAPTTP53KDM4ESMN1; SMN2NPBWR1
SCHEMBL4258922 0.72 TSHR (0.36) GAAALDH1A1
SCHEMBL4253179 0.72
SCHEMBL4252758 0.71 MAOA (0.33) MAPTSMN1; SMN2NPBWR1NPC1
SCHEMBL4254764 0.71 GAA (0.32) MAPTTP53SMN1; SMN2GAAALDH1A1
SCHEMBL13619431 0.70 POLB (0.40) RXFP1MAPTTP53SMN1; SMN2POLB

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 CRHBP 3679/4885CRHR2 4815/4885RXFP1 4559/4885

“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.