SCHEMBL29326697

SCHEMBL29326697

COc1ccc(Cl)c(-c2ccc3c(=O)n(-c4cccc(C5CC5)c4)c(=O)[nH]c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
GAA P10253 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
TP53 P04637 3/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 2/20 0.40
PKM P14618 1/20 0.40
METAP2 P50579 1/20 0.39
MAPT P10636 2/20 0.37
MAT2A P31153 1/20 0.37
ADRA1B P35368 1/20 0.37
NTRK1 P04629 1/20 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
SCHEMBL27379357 0.88 METAP2 (0.42) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A
SCHEMBL29326517 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A
SCHEMBL29326426 0.78 HSD17B10 (0.52) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A
SCHEMBL27378765 0.74 TNKS2 (0.43) KDM4EALDH1A1HPGDGAATP53
SCHEMBL27192042 0.73 HSD17B10 (0.48) KDM4EALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL27379779 0.73 METAP2 (0.44) KDM4EALDH1A1HPGDHSD17B10PKM
SCHEMBL31681236 0.73 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2CA9HSD17B10
SCHEMBL27380985 0.71 NPBWR1 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A
SCHEMBL27381490 0.71 METAP2 (0.38) KDM4EALDH1A1CA12CA2CA9
SCHEMBL27191886 0.71 HSD17B10 (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HIF1A

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 3744/4885ALDH1A1 3259/4885HPGD 2198/4885

“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.