SCHEMBL23647751

SCHEMBL23647751

Cc1cc(Br)c2c(c1)OCC2

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAOB P27338 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3600857 0.79 UGT2B17 (0.36) ALDH1A1MAPTGAAHSD17B10MAOB
SCHEMBL29460452 0.79 AHR (0.45) MAPTGAAMAOBSMN1; SMN2
SCHEMBL23647892 0.76 EGFR (0.35) ALDH1A1MAPTMAOBSMN1; SMN2
SCHEMBL23012562 0.76 MAPT (0.35) ALDH1A1MAPTGAAHSD17B10MAOB
SCHEMBL5535609 0.76 MAOB (0.33) ALDH1A1MAPTGAAHSD17B10MAOB
SCHEMBL23648096 0.76 EGFR (0.33) MAOBSMN1; SMN2
SCHEMBL23729378 0.76 ALDH1A1 (0.34) ALDH1A1MAPTGAAHSD17B10MAOB
SCHEMBL5535613 0.76 SELL (0.39) ALDH1A1MAPTGAAHSD17B10MAOB
SCHEMBL21471819 0.73 HTR2A (0.33)
SCHEMBL31166552 0.72 MAOB (0.35) ALDH1A1MAPTMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 EP disclosed
US-20220396578-A1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2022-12-15 US disclosed
EP-4090660-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2022-11-23 EP disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 WO disclosed
WO-2021144439-A1 QUINOXALINE DERIVATIVES Grünenthal GmbH (DE) 2021-07-22 WO 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-20220396578-A1 QUINOXALINE DERIVATIVES NR3C1, NR3C2, GRK5 ALDH1A1 1617/4885MAPT 4774/4885GAA 2862/4885

“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.