SCHEMBL17347239

SCHEMBL17347239

Cc1ccc(-c2ccc(Br)c3nsnc23)s1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRA1A P35348 1/20 0.30
ESR2 Q92731 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
SCHEMBL1108695 0.89 ALDH1A1 (0.38) MAPTKDM4ENPC1ALDH1A1GFER
SCHEMBL12587556 0.87 ESR2 (0.38) MAPTKDM4ENPC1ALDH1A1GFER
SCHEMBL16449477 0.87 ALDH1A1 (0.37) MAPTKDM4ENPC1ALDH1A1GFER
SCHEMBL12708060 0.86 MAPT (0.34) MAPTKDM4ENPC1ALDH1A1GFER
SCHEMBL17849097 0.85 ESR2 (0.37) MAPTKDM4ENPC1ALDH1A1GFER
SCHEMBL12545055 0.85 ESR2 (0.37) MAPTKDM4ENPC1ALDH1A1GFER
SCHEMBL4419377 0.84 MAPT (0.35) MAPTKDM4EMAPK1NPC1ALDH1A1
SCHEMBL1396169 0.84 MAPT (0.35) MAPTKDM4EMAPK1NPC1ALDH1A1
SCHEMBL4407792 0.82 MAPT (0.38) MAPTKDM4EMAPK1NPC1ALDH1A1
SCHEMBL19413012 0.80 NPC1 (0.31) MAPTNPC1ALDH1A1GFERHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3154988-B1 BORYLATED COMPOUNDS UNIV MANCHESTER (GB) 2019-01-09 EP disclosed
US-10038148-B2 Borylated compounds THE UNIVERSITY OF MANCHESTER (GB) 2018-07-31 US disclosed
US-10038148-B2 Borylated compounds THE UNIVERSITY OF MANCHESTER (GB) 2018-07-31 US disclosed
US-20170110660-A1 BORYLATED COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2017-04-20 US disclosed
US-20170110660-A1 BORYLATED COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2017-04-20 US disclosed
WO-2015189627-A1 BORYLATED COMPOUNDS THE UNIVERSITY OF MANCHESTER (GB) 2015-12-17 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 (2 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-10038148-B2 Borylated compounds EYA3, EYA2, BLM MAPT 3144/4885KDM4E 3553/4885MAPK1 3934/4885
US-20170110660-A1 BORYLATED COMPOUNDS EYA3, EYA2, BLM MAPT 3144/4885KDM4E 3553/4885MAPK1 3934/4885

“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.