SCHEMBL29326246

SCHEMBL29326246

O=c1[nH]c2cc(-c3cccc4cccnc34)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.43
GAA P10253 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NPEPPS P55786 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
ITGA4 P13612 2/20 0.39
ITGB7 P26010 2/20 0.39
IDO1 P14902 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRM4 Q14833 1/20 0.38
FEN1 P39748 1/20 0.38
BRD4 O60885 2/20 0.37
FABP1 P07148 1/20 0.37
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HCAR1 Q9BXC0 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
SCHEMBL27377725 0.90 METAP2 (0.43) METAP2GAACYP1A2CYP3A4HPGD
SCHEMBL29326328 0.89 IDO1 (0.41) METAP2NPEPPSKDM4EHTTITGA4
SCHEMBL29326224 0.87 NPEPPS (0.48) GAACYP1A2CYP2C19NPEPPSKDM4E
SCHEMBL29326326 0.86 PRMT5 (0.43) METAP2GAACYP1A2CYP3A4HPGD
SCHEMBL29326363 0.83 TNKS2 (0.50) GAACYP3A4CYP2C19NPEPPSKDM4E
SCHEMBL29326236 0.83 NPEPPS (0.44) GAANPEPPSKDM4EHTTITGA4
SCHEMBL29326223 0.81 FEN1 (0.58) GAACYP1A2HPGDCYP2C19NPEPPS
SCHEMBL29326335 0.81 NPEPPS (0.43) GAANPEPPSKDM4EHTTITGA4
SCHEMBL29326265 0.81 PTGES (0.46) CYP1A2CYP3A4HPGDCYP2C19NPEPPS
SCHEMBL29326261 0.81 CYP11B1 (0.47) CYP1A2CYP3A4CYP2C19NPEPPSKDM4E

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 METAP2 57/4885GAA 180/4885CYP1A2 152/4885

“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.