SCHEMBL4254518

SCHEMBL4254518

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
NPBWR1 P48145 1/20 0.36
MAPT P10636 10/20 0.36
CTSB P07858 1/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HTR1E P28566 1/20 0.34
S1PR3 Q99500 1/20 0.34
TP53 P04637 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR139 Q6DWJ6 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
SCHEMBL4257247 0.89 PKM (0.42) ALDH1A1MAPTTP53
SCHEMBL4250409 0.84 CRHBP (0.38) ALDH1A1NPSR1HTTNPBWR1MAPT
SCHEMBL4254527 0.80 PRSS1 (0.34) HTTNPBWR1MAPT
SCHEMBL4252758 0.80 MAOA (0.33) CYP1A2CYP3A4CYP2C19NPBWR1MAPT
SCHEMBL13608161 0.75 ALDH1A1 (0.41) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL4254506 0.75 ALDH1A1 (0.41) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL4257924 0.74 HTT (0.41) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL4258922 0.72 TSHR (0.36) ALDH1A1TSHR
SCHEMBL8214047 0.71 ALDH1A1 (0.44) ALDH1A1LMNANPSR1CYP1A2CYP3A4
SCHEMBL13619403 0.71 PTGDR2 (0.38) MAPTPOLBTP53HDAC1HDAC7

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 ALDH1A1 3705/4885LMNA 114/4885NPSR1 4782/4885

“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.