SCHEMBL16429045

SCHEMBL16429045

Cc1c(O)cc(=O)[nH]c1-c1cnc2cc[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
PIK3C3 Q8NEB9 1/20 0.44
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM5A P29375 1/20 0.34
SYK P43405 5/20 0.33
TNKS O95271 1/20 0.32
APP P05067 1/20 0.32
QPCT Q16769 1/20 0.32
QPCTL Q9NXS2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
IDH1 O75874 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32

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
SCHEMBL16428953 0.84 PIK3C3 (0.41) BRD4PIK3C3ALOX5APFEN1KDM5A
SCHEMBL14745332 0.77 PIK3C3 (0.42) BRD4PIK3C3ALOX5APFEN1SYK
SCHEMBL14745155 0.68 PIK3C3 (0.40) BRD4PIK3C3ALOX5APFEN1KDM5A
SCHEMBL30052190 0.67 BRD4 (0.45) BRD4PIK3C3ALOX5APFEN1SYK
SCHEMBL15730145 0.66 BRD4 (0.53) BRD4PIK3C3ALOX5APFEN1SYK
SCHEMBL16428706 0.66 BRD4 (0.40) BRD4ALDH1A1
SCHEMBL1269027 0.65 TYR (0.45) BRD4PIK3C3APPQPCTQPCTL
SCHEMBL586478 0.65 BRD4 (0.51) BRD4PIK3C3SYKAPPQPCT
SCHEMBL23600955 0.65 BRD4 (0.52) BRD4PIK3C3SYKQPCTQPCTL
SCHEMBL16568205 0.65 PGR (0.43) APPQPCTALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409905-B2 Antibacterial compounds and methods for use PTC THERAPEUTICS, INC. (US) 2016-08-09 US disclosed
US-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, INC. (US) 2015-02-05 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-20150038437-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE MRPL21, SLC11A2, CLPP BRD4 2439/4885PIK3C3 1025/4885ALOX5AP 1994/4885

“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.