SCHEMBL29326667

SCHEMBL29326667

O=c1[nH]c2cc(-c3cc(OC(F)(F)F)ccc3Cl)ccc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.40
TP53 P04637 1/20 0.39
IDO1 P14902 1/20 0.39
OTUD7B Q6GQQ9 2/20 0.38
PKM P14618 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
FFAR4 Q5NUL3 4/20 0.37
FFAR1 O14842 2/20 0.37
CYP2C9 P11712 2/20 0.37
SCN5A Q14524 1/20 0.37
NPBWR1 P48145 1/20 0.37
NPEPPS P55786 1/20 0.36
PIM1 P11309 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 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
SCHEMBL27379210 0.90 IDO1 (0.39) KDM4EHTTKIF11TP53IDO1
SCHEMBL29326426 0.88 HSD17B10 (0.52) KDM4EHTTTP53PKMHSD17B10
SCHEMBL29326666 0.86 HSP90AA1 (0.43) KDM4EHTTKIF11TP53GAA
SCHEMBL29326316 0.85 KDM4E (0.55) KDM4EHTTTP53GAACYP2C9
SCHEMBL29326363 0.83 TNKS2 (0.50) KDM4EHTTTP53GAACYP2C9
SCHEMBL29326366 0.81 KDM4E (0.47) KDM4EHTTTP53GAACYP2C9
SCHEMBL29326673 0.80 KDM4E (0.43) KDM4EHTTTP53GAACYP2C9
SCHEMBL29326311 0.80 KDM4E (0.47) KDM4EHTTTP53GAACYP2C9
SCHEMBL29326676 0.79 KDM4E (0.45) KDM4EHTTTP53GAACYP2C9
SCHEMBL29326224 0.79 NPEPPS (0.48) KDM4EHTTTP53PKMHSD17B10

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 3744/4885HTT 3577/4885KIF11 4333/4885

“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.