SCHEMBL13619190

SCHEMBL13619190

CCC(C(=O)NC(C(=O)O)C(=O)CF)c1ccnn(Cc2cccc(Cl)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 4/20 0.38
TP53 P04637 5/20 0.38
MAPT P10636 3/20 0.38
PKM P14618 1/20 0.37
PKLR P30613 1/20 0.37
PTGER4 P35408 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 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
SCHEMBL13619403 0.89 PTGDR2 (0.38) KMT2ASMN1; SMN2POLBTP53MAPT
SCHEMBL4255723 0.89 CASP3 (0.42) KMT2ASMN1; SMN2POLBTP53MAPT
SCHEMBL13619963 0.88 NPBWR1 (0.42) KMT2ASMN1; SMN2POLBTP53MAPT
SCHEMBL13619431 0.85 POLB (0.40) KMT2ASMN1; SMN2POLBTP53MAPT
SCHEMBL4250363 0.83 CTSL (0.37) KMT2ASMN1; SMN2POLBTP53MAPT
SCHEMBL4249823 0.79 CASP3 (0.46) KMT2AMEN1
SCHEMBL13608161 0.79 ALDH1A1 (0.41) SMN1; SMN2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4254506 0.79 ALDH1A1 (0.41) SMN1; SMN2LMNAALDH1A1CYP1A2CYP3A4
SCHEMBL13619354 0.78 OPRL1 (0.33) KMT2ATP53MEN1GAA
SCHEMBL4254351 0.78 CASP3 (0.40) POLBTP53

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 KMT2A 3881/4885SMN1; SMN2 2343/4885POLB 2995/4885

“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.