SCHEMBL29326253

SCHEMBL29326253

O=c1[nH]c2cc(-c3ccccc3)c(F)cc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.42
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HTT P42858 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 2/20 0.39
ACLY P53396 1/20 0.39
GAA P10253 2/20 0.38
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
FEN1 P39748 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 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
SCHEMBL27377721 0.87 NPEPPS (0.39) NPEPPSKDM4EHTTALDH1A1HSD17B10
SCHEMBL29326248 0.85 KDM4E (0.45) NPEPPSTDP1KDM4EHTTALDH1A1
SCHEMBL29326342 0.84 NPEPPS (0.39) NPEPPSTDP1KDM4EHTTALDH1A1
SCHEMBL29326345 0.82 BTK (0.43) NPEPPSITGA4ITGB7
SCHEMBL29326223 0.81 FEN1 (0.58) NPEPPSTDP1KDM4EHTTALDH1A1
SCHEMBL29326760 0.79 HSD17B10 (0.48) KDM4EHTTALDH1A1HSD17B10HPGD
SCHEMBL29326224 0.77 NPEPPS (0.48) NPEPPSTDP1KDM4EHTTHSD17B10
SCHEMBL29326616 0.77 IDO1 (0.44) NPEPPSTDP1KDM4EHTTALDH1A1
SCHEMBL6976268 0.77 NPEPPS (0.63) NPEPPSTDP1KDM4EHTTALDH1A1
SCHEMBL29326451 0.76 KDM4E (0.45) NPEPPSTDP1KDM4EHTTGAA

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 NPEPPS 168/4885TDP1 2732/4885KDM4E 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.