SCHEMBL29326537

SCHEMBL29326537

O=c1[nH]c2cc(-c3ccccc3Cl)sc2c(=O)n1-c1cccc2ncccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
GRM4 Q14833 1/20 0.38
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
GAA P10253 1/20 0.35
TP53 P04637 1/20 0.34
GUSB P08236 1/20 0.34
ACVR1 Q04771 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL29326542 0.94 CYP1A1 (0.42) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL27378779 0.89 GRM4 (0.37) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326162 0.86 CYP1A1 (0.53) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326533 0.85 ERCC5 (0.39) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL27378774 0.83 KDM4E (0.39) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326216 0.83 ERCC5 (0.39) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326219 0.80 ERCC5 (0.42) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL27192305 0.79 CYP1A1 (0.37) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326530 0.79 ERCC5 (0.42) CYP1A1CYP1B1ERCC5FEN1KDM4E
SCHEMBL29326453 0.79 CYP1A1 (0.47) CYP1A1CYP1B1ERCC5FEN1KDM4E

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE CYP1A1 882/4885CYP1B1 1007/4885ERCC5 2042/4885

“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.