SCHEMBL13619403

SCHEMBL13619403

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
CYP19A1 P11511 3/20 0.36
PTGES O14684 1/20 0.35
TP53 P04637 3/20 0.35
POLB P06746 3/20 0.35
MAPT P10636 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALPL P05186 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 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
SCHEMBL13619190 0.89 KMT2A (0.39) TP53POLBMAPTMEN1KMT2A
SCHEMBL4254351 0.89 CASP3 (0.40) PTGDR2CYP19A1TP53POLB
SCHEMBL13619963 0.88 NPBWR1 (0.42) TP53POLBMAPTMEN1KMT2A
SCHEMBL8221577 0.83 TP53 (0.38) PTGDR2CYP19A1TP53POLBMAPT
SCHEMBL4256524 0.83 CTSB (0.37) PTGDR2CYP19A1TP53POLBMAPT
SCHEMBL13619431 0.81 POLB (0.40) TP53POLBMAPTMEN1KMT2A
SCHEMBL13608161 0.79 ALDH1A1 (0.41) IDO1TDO2SMN1; SMN2
SCHEMBL4254506 0.79 ALDH1A1 (0.41) IDO1TDO2SMN1; SMN2
SCHEMBL4255723 0.78 CASP3 (0.42) TP53POLBMAPTKMT2ASMN1; SMN2
SCHEMBL13619354 0.78 OPRL1 (0.33) TP53MEN1KMT2A

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 PTGDR2 4130/4885CYP19A1 2416/4885PTGES 2159/4885

“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.