SCHEMBL29326565

SCHEMBL29326565

COc1cccc(-n2c(=O)[nH]c3cc(-c4ccccc4Cl)ccc3c2=O)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.50
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HIF1A Q16665 1/20 0.46
PKM P14618 1/20 0.46
TRPV1 Q8NER1 1/20 0.43
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GRIA1 P42261 1/20 0.41
CACNG8 Q8WXS5 1/20 0.41
HTR1A P08908 2/20 0.41

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
SCHEMBL29326563 0.90 TNKS2 (0.56) TNKS2KDM4EHTTTP53JAK2
SCHEMBL27378925 0.87 TNKS2 (0.47) TNKS2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29326500 0.84 TNKS2 (0.60) TNKS2KDM4EHTTTP53HTR1A
SCHEMBL29326509 0.81 TNKS2 (0.53) TNKS2ALDH1A1KDM4ESMN1; SMN2HTT
SCHEMBL29326363 0.81 TNKS2 (0.50) TNKS2KDM4EHTTTP53GAA
SCHEMBL30702006 0.81 TNKS2 (0.53) TNKS2KDM4EHTTTP53GAA
SCHEMBL27191930 0.81 TNKS2 (0.53) TNKS2KDM4EHTTTP53GAA
SCHEMBL29326465 0.80 TNKS2 (0.50) TNKS2KDM4EHTTTP53ADRA1D
SCHEMBL29326306 0.79 GRIA1 (0.53) TNKS2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29326366 0.77 KDM4E (0.47) TNKS2KDM4EHTTTP53GAA

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 TNKS2 619/4885ALDH1A1 3259/4885KDM4E 3744/4885

“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.