SCHEMBL29326503

SCHEMBL29326503

O=c1[nH]c2cc(-c3ccccc3Cl)ccc2c(=O)n1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.55
TP53 P04637 2/20 0.55
KDM4E B2RXH2 5/20 0.53
GAA P10253 2/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
HSD17B10 Q99714 3/20 0.51
LMNA P02545 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
GLA P06280 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
FEN1 P39748 1/20 0.48
RXFP1 Q9HBX9 3/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 1/20 0.44
PTGES O14684 2/20 0.44
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.42

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
SCHEMBL27378701 0.87 ALDH1A1 (0.55) TNKS2TP53KDM4EGAAALDH1A1
SCHEMBL27378703 0.87 TNKS2 (0.50) TNKS2TP53KDM4EGAAALDH1A1
SCHEMBL27381222 0.85 TNKS2 (0.48) TNKS2TP53KDM4EGAAALDH1A1
SCHEMBL29326517 0.85 KDM4E (0.49) TNKS2TP53KDM4EGAAALDH1A1
SCHEMBL29326500 0.83 TNKS2 (0.60) TNKS2TP53KDM4EGAAFEN1
SCHEMBL29326509 0.82 TNKS2 (0.53) TNKS2TP53KDM4EGAAALDH1A1
SCHEMBL29326563 0.82 TNKS2 (0.56) TNKS2TP53KDM4EGAAFEN1
SCHEMBL29326363 0.82 TNKS2 (0.50) TNKS2TP53KDM4EGAAFEN1
SCHEMBL8480237 0.81 MEN1 (0.73) TP53KDM4EGAAALDH1A1HPGD
SCHEMBL27378765 0.80 TNKS2 (0.43) TNKS2TP53KDM4EGAAALDH1A1

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 619/4885TP53 1119/4885KDM4E 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.