SCHEMBL29326248

SCHEMBL29326248

O=c1[nH]c2cc(-c3ccccc3Cl)c(F)cc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.41
TP53 P04637 1/20 0.40
NPEPPS P55786 1/20 0.40
JAK2 O60674 3/20 0.40
BTK Q06187 3/20 0.40
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGES O14684 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSP90AA1 P07900 2/20 0.37
CYP1A1 P04798 1/20 0.37
CYP1B1 Q16678 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPK13 O15264 2/20 0.37

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
SCHEMBL27377720 0.88 KDM4E (0.42) KDM4EHTTGAATP53NPEPPS
SCHEMBL29326391 0.87 KDM4E (0.45) KDM4EHTTGAATP53NPEPPS
SCHEMBL29326760 0.86 HSD17B10 (0.48) KDM4EHTTGAATP53ALDH1A1
SCHEMBL29326253 0.85 NPEPPS (0.42) KDM4EHTTGAANPEPPSITGA4
SCHEMBL29326342 0.85 NPEPPS (0.39) KDM4EHTTGAANPEPPSITGA4
SCHEMBL29326398 0.84 ALDH1A1 (0.52) KDM4EHTTGAATP53NPEPPS
SCHEMBL29326345 0.83 BTK (0.43) NPEPPSJAK2BTKITGA4ITGB7
SCHEMBL29326366 0.83 KDM4E (0.47) KDM4EHTTGAATP53NPEPPS
SCHEMBL29326363 0.82 TNKS2 (0.50) KDM4EHTTGAATP53NPEPPS
SCHEMBL29326386 0.82 KDM4E (0.40) KDM4EHTTGAATP53NPEPPS

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 3577/4885GAA 180/4885

“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.