SCHEMBL29326609

SCHEMBL29326609

O=c1[nH]c2cc(-c3c(Cl)cccc3-c3nc4ccccc4[nH]3)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
HTT P42858 1/20 0.42
PTGES O14684 5/20 0.40
NPEPPS P55786 1/20 0.40
CYP2C9 P11712 2/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
KDR P35968 3/20 0.39
PDGFRB P09619 2/20 0.39
GAA P10253 1/20 0.39
ITGA4 P13612 1/20 0.39
ITGB7 P26010 1/20 0.39
TP53 P04637 1/20 0.39
CDK4 P11802 2/20 0.38
CCNA2 P20248 2/20 0.38

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
SCHEMBL27191849 0.91 KDM4E (0.40) KDM4ENPC1RAB9AALDH1A1GPR55
SCHEMBL30702116 0.91 KDM4E (0.40) KDM4ENPC1RAB9AALDH1A1GPR55
SCHEMBL29326451 0.86 KDM4E (0.45) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326437 0.86 KDM4E (0.50) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326751 0.84 PTGES (0.41) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326363 0.83 TNKS2 (0.50) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326576 0.82 PTGES (0.40) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326448 0.82 ITGA4 (0.42) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326611 0.81 PTGES (0.48) KDM4EHTTPTGESNPEPPSCYP2C9
SCHEMBL29326311 0.81 KDM4E (0.47) KDM4EHTTPTGESNPEPPSCYP2C9

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 KDM4E 3744/4885NPC1 848/4885RAB9A 2168/4885

“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.