SCHEMBL29326522

SCHEMBL29326522

O=c1[nH]c2cc(-c3ccccc3Cl)ccc2c(=O)n1-c1ccccc1N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.46
PIK3C3 Q8NEB9 2/20 0.45
CNR2 P34972 1/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 1/20 0.42
ADRA1D P25100 3/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAD51 Q06609 1/20 0.40
METAP2 P50579 1/20 0.40
PRKDC P78527 1/20 0.39

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
SCHEMBL27378767 0.90 CNR2 (0.42) TNKS2PIK3C3CNR2KDM4EHTT
SCHEMBL29326524 0.84 TNKS2 (0.44) TNKS2PIK3C3KDM4EHTT
SCHEMBL29326559 0.81 PIK3C3 (0.44) PIK3C3HTTHSD17B10ALOX15ADRA1D
SCHEMBL29326500 0.81 TNKS2 (0.60) TNKS2KDM4EHTTADRA1DADRA1A
SCHEMBL29326563 0.80 TNKS2 (0.56) TNKS2KDM4EHTT
SCHEMBL29326509 0.80 TNKS2 (0.53) TNKS2KDM4EHTTALDH1A1MAPT
SCHEMBL29326363 0.80 TNKS2 (0.50) TNKS2KDM4EHTT
SCHEMBL30701959 0.79 CYP3A4 (0.43) TNKS2KDM4EHTTADRA1DADRA1A
SCHEMBL27191803 0.79 CYP3A4 (0.43) TNKS2KDM4EHTTADRA1DADRA1A
SCHEMBL29326503 0.78 TNKS2 (0.55) TNKS2KDM4EHTTHSD17B10ALDH1A1

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 619/4885PIK3C3 4042/4885CNR2 2800/4885

“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.