SCHEMBL29326559

SCHEMBL29326559

O=c1[nH]c2cc(-c3ccccc3Cl)sc2c(=O)n1-c1ccccc1N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.44
HSD17B10 Q99714 2/20 0.41
ALOX15 P16050 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAD51 Q06609 2/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
MCHR1 Q99705 1/20 0.39
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 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
SCHEMBL27378922 0.90 PIK3C3 (0.40) PIK3C3ALDH1A1POLBMCHR1ERCC5
SCHEMBL29326555 0.84 ERCC5 (0.36) PIK3C3ALDH1A1MCHR1ERCC5FEN1
SCHEMBL27191808 0.83 MCHR1 (0.41) PIK3C3MAPTALDH1A1MCHR1MEN1
SCHEMBL29326522 0.81 TNKS2 (0.46) PIK3C3HSD17B10ALOX15MAPTALDH1A1
SCHEMBL29326527 0.81 HCAR1 (0.40) HSD17B10ALDH1A1ERCC5FEN1ADRA1B
SCHEMBL29326494 0.80 ERCC5 (0.35) PIK3C3HSD17B10ALDH1A1PKMMCHR1
SCHEMBL27191946 0.79 HTR7 (0.40) HSD17B10MAPTERCC5FEN1HTR1A
SCHEMBL30702007 0.79 HTR7 (0.40) HSD17B10MAPTERCC5FEN1HTR1A
SCHEMBL29326162 0.79 CYP1A1 (0.53) ALDH1A1POLBERCC5FEN1TDP1
SCHEMBL30702065 0.78 ATR (0.35) MCHR1ERCC5FEN1ADRA1DADRA1A

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 PIK3C3 4042/4885HSD17B10 433/4885ALOX15 1513/4885

“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.