SCHEMBL4257924

SCHEMBL4257924

CCC(C(=O)C(C(=O)CF)C(N)C(=O)O)c1ccnn(Cc2cccc(C)c2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPBWR1 P48145 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
IDO1 P14902 1/20 0.34
MAPK1 P28482 1/20 0.34
TDO2 P48775 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 4/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 4/20 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
SCHEMBL4451133 0.89 PKM (0.42) ALDH1A1LMNANPBWR1RXFP1KDM4E
SCHEMBL4256061 0.88 NPSR1 (0.38) HTTALDH1A1CYP3A4LMNACYP1A2
SCHEMBL4251545 0.84 NPBWR1 (0.35) ALDH1A1NPBWR1SMN1; SMN2HPGDIDO1
SCHEMBL4257939 0.82 TSHR (0.40)
SCHEMBL4447381 0.79 PKM (0.37) ALDH1A1NPBWR1KDM4EPKM
SCHEMBL13608161 0.78 ALDH1A1 (0.41) HTTALDH1A1CYP3A4LMNACYP1A2
SCHEMBL4254506 0.78 ALDH1A1 (0.41) HTTALDH1A1CYP3A4LMNACYP1A2
SCHEMBL4257569 0.77 ALDH1A1 (0.51) HTTALDH1A1CYP3A4LMNACYP1A2
SCHEMBL8214047 0.76 ALDH1A1 (0.44) HTTALDH1A1CYP3A4LMNACYP1A2
SCHEMBL4254518 0.74 ALDH1A1 (0.40) HTTALDH1A1CYP3A4LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481537-B2 Caspase inhibitors based of pyridazinone scaffold LG LIFE SCIENCES LTD. (KR) 2013-07-09 US disclosed
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 HTT 3351/4885ALDH1A1 3705/4885CYP3A4 282/4885

“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.