SCHEMBL29326200

SCHEMBL29326200

O=c1[nH]c2cc(-c3ccc(F)cc3Cl)sc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 5/20 0.43
CYP1B1 Q16678 5/20 0.43
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
CYP1A2 P05177 3/20 0.39
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
P2RX7 Q99572 2/20 0.39
TP53 P04637 2/20 0.38
G6PD P11413 1/20 0.36
GAA P10253 1/20 0.35
NPEPPS P55786 1/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 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
SCHEMBL29326658 0.90 ERCC5 (0.39) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326162 0.89 CYP1A1 (0.53) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL27377455 0.89 P2RX7 (0.42) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326663 0.86 HSD17B10 (0.41) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326188 0.85 CYP1A1 (0.53) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326207 0.84 ERCC5 (0.36) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326467 0.83 ERCC5 (0.44) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326196 0.83 CYP1A1 (0.44) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326215 0.83 ERCC5 (0.41) CYP1A1CYP1B1ERCC5FEN1CYP1A2
SCHEMBL29326183 0.83 ERCC5 (0.43) CYP1A1CYP1B1ERCC5FEN1CYP1A2

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.