SCHEMBL348932

SCHEMBL348932

S=C=Nc1ccc(CBr)cc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.38
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ABCB11 O95342 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NR3C1 P04150 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ADRA2C P18825 1/20 0.32
MAOA P21397 1/20 0.32
DRD1 P21728 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR2B P41595 1/20 0.32
CCR2 P41597 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL27833135 0.88 P2RY6 (0.35) P2RY6
SCHEMBL368868 0.81 P2RY6 (0.38) P2RY6ABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL7819545 0.80 GABRA1 (0.34) GABRA1GABRB2ABCB11ALDH1A1NR3C1
SCHEMBL7819115 0.80 MIF (0.35) GABRA1GABRB2ABCB11ALDH1A1NR3C1
SCHEMBL349237 0.80 P2RY6 (0.37) P2RY6GABRA1GABRB2ABCB11ALDH1A1
SCHEMBL347989 0.80 P2RY6 (0.37) P2RY6ABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL348869 0.80 P2RY6 (0.37) P2RY6GABRA1GABRB2ABCB11ALDH1A1
SCHEMBL7817464 0.77 MIF (0.41) HPGDHSD17B10MIF
SCHEMBL348026 0.76 MIF (0.35) P2RY6MIF
SCHEMBL27820374 0.75 P2RY6 (0.41) P2RY6MIF

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-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP 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-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 P2RY6 4340/4885GABRA1 823/4885GABRB2 851/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885GABRA1 242/4885GABRB2 293/4885

“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.