SCHEMBL27377350

SCHEMBL27377350

O=c1[nH]c2cc(-c3cccnc3)sc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP19A1 P11511 1/20 0.37
▸ HPGD P15428 4/20 0.37
▸ CYP11B1 P15538 3/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NPEPPS P55786 1/20 0.36

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
SCHEMBL27377344 0.93 ERCC5 (0.54) ERCC5FEN1KDM4EALDH1A1GAA
SCHEMBL29326177 0.91 ERCC5 (0.49) ERCC5FEN1KDM4EALDH1A1GAA
SCHEMBL27377591 0.84 ERCC5 (0.38) ERCC5FEN1ALDH1A1CYP11B1CYP11B2
SCHEMBL27377590 0.84 ERCC5 (0.35) ERCC5FEN1KDM4EGAACYP11B1
SCHEMBL27377355 0.83 HAVCR2 (0.38) ERCC5FEN1KDM4EALDH1A1GAA
SCHEMBL27191797 0.83 ERCC5 (0.40) ERCC5FEN1KDM4EGAACYP11B1
SCHEMBL27192316 0.83 CYP1A1 (0.44) ERCC5FEN1KDM4EALDH1A1GAA
SCHEMBL27377359 0.83 CYP1A1 (0.44) ERCC5FEN1KDM4ECYP11B1CYP11B2
SCHEMBL27192019 0.82 ERCC5 (0.36) ERCC5FEN1KDM4ECYP11B1CYP11B2
SCHEMBL27191767 0.82 CYP11B1 (0.40) ERCC5FEN1KDM4ECYP11B1CYP11B2

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 — — US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 — — WO 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE ERCC5 2042/4885FEN1 1012/4885KDM4E 3744/4885

“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.

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