SCHEMBL29326265

SCHEMBL29326265

O=c1[nH]c2cc(-c3cccnc3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
FEN1 P39748 1/20 0.44
MAPT P10636 3/20 0.43
NPEPPS P55786 1/20 0.43
FLT3 P36888 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
FGFR1 P11362 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40

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
SCHEMBL27377729 0.90 PTGES (0.46) PTGESCYP3A4CYP2C9CYP2C19FEN1
SCHEMBL29326223 0.87 FEN1 (0.58) CYP2C9CYP2C19FEN1NPEPPSCDK4
SCHEMBL29326689 0.87 PTGES (0.48) PTGESCYP3A4CYP2C9CYP2C19FEN1
SCHEMBL29326288 0.84 TDP1 (0.49) PTGESCYP2C9CYP2C19FEN1NPEPPS
SCHEMBL29326300 0.83 KDM4E (0.55) PTGESFEN1MAPTNPEPPSKDM4E
SCHEMBL29326261 0.83 CYP11B1 (0.47) CYP3A4CYP2C9CYP2C19NPEPPSCYP11B1
SCHEMBL29326224 0.82 NPEPPS (0.48) CYP2C9CYP2C19FEN1NPEPPSKDM4E
SCHEMBL29326295 0.81 KDM4E (0.50) PTGESFEN1NPEPPSKDM4EALDH1A1
SCHEMBL29328549 0.81 FEN1 (0.53) PTGESFEN1MAPTNPEPPSCYP11B1
SCHEMBL29326246 0.81 METAP2 (0.43) CYP3A4CYP2C19FEN1NPEPPSKDM4E

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 PTGES 1477/4885CYP3A4 195/4885CYP2C9 263/4885

“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.