SCHEMBL29326386

SCHEMBL29326386

O=c1[nH]c2cc(-c3ccccc3Cl)c(OC3CC3)cc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.37
TP53 P04637 2/20 0.36
MAPT P10636 1/20 0.36
NPEPPS P55786 1/20 0.36
MAPK14 Q16539 2/20 0.36
PKM P14618 1/20 0.36
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HTR1A P08908 1/20 0.34

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
SCHEMBL27378167 0.89 KDM4E (0.38) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL29326398 0.87 ALDH1A1 (0.52) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL29326248 0.82 KDM4E (0.45) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL29326391 0.82 KDM4E (0.45) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL29326366 0.78 KDM4E (0.47) KDM4EHTTGAATP53NPEPPS
SCHEMBL29326376 0.78 ALDH1A1 (0.50) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL29326363 0.77 TNKS2 (0.50) KDM4EHTTGAATP53NPEPPS
SCHEMBL27378173 0.76 ALDH1A1 (0.47) KDM4EHTTALDH1A1HPGDSMN1; SMN2
SCHEMBL29326614 0.76 KDM4E (0.45) KDM4EHTTALDH1A1GAATP53
SCHEMBL29326311 0.74 KDM4E (0.47) 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 3577/4885ALDH1A1 3259/4885

“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.