SCHEMBL25522729

SCHEMBL25522729

Cn1c(=O)c2c(nc(Cl)n2CCO)n(C)c1=O

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.71
CYP2C19 P33261 2/20 0.71
RECQL P46063 2/20 0.71
HTT P42858 2/20 0.60
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.50
ADORA2B P29275 1/20 0.50
PCSK9 Q8NBP7 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.48
HSD17B10 Q99714 3/20 0.48
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.46

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
SCHEMBL25219229 0.86 CYP1A2 (0.83) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL6847172 0.84 CYP1A2 (0.71) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL460340 0.84 CYP1A2 (0.75) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL27582896 0.83 CYP1A2 (1.00) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL6847258 0.83 CYP2C19 (0.68) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL27600244 0.82 RECQL (0.91) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL11601049 0.82 CYP1A2 (0.63) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL15749696 0.82 CYP1A2 (0.63) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL25522734 0.82 ALDH1A1 (0.70) CYP1A2CYP2C19RECQLHTTCYP3A4
SCHEMBL17786274 0.82 CYP1A2 (0.68) CYP1A2CYP2C19RECQLHTTCYP3A4

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-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 CYP1A2 4629/4885CYP2C19 3887/4885RECQL 3187/4885

“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.