SCHEMBL348027

SCHEMBL348027

COc1cc(N=C=S)ccc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.38
APLNR P35414 1/20 0.37
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR3A P46098 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
MIF P14174 3/20 0.33
PYCR1 P32322 1/20 0.33
PNMT P11086 1/20 0.33
NAAA Q02083 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 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
SCHEMBL23022633 0.84 PDCD1 (0.43) P2RY6APLNRMAPTGAATSHR
SCHEMBL76835 0.79 HTR3E (0.53) P2RY6MAPTTSHRMAPK1HTR3E
SCHEMBL349148 0.79 P2RY6 (0.45) P2RY6MAPTMIFPNMTMEN1
SCHEMBL960660 0.78 MAPT (0.39) P2RY6APLNRMAPTGAAHTR3E
SCHEMBL348839 0.78 P2RY6 (0.41) P2RY6MAPTTSHRMAPK1MIF
SCHEMBL349466 0.76 P2RY6 (0.42) P2RY6MAPTMIFPNMTNAAA
SCHEMBL6179404 0.76 P2RY6 (0.38) P2RY6APLNRMAPTGAAHTR3E
SCHEMBL349270 0.75 P2RY6 (0.41) P2RY6MAPTMIFPNMTNAAA
SCHEMBL602013 0.75 NAAA (0.40) P2RY6MAPTGAAHTR3EHTR3B
SCHEMBL348956 0.75 P2RY6 (0.41) P2RY6MAPTMAPK1MIFPNMT

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-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
CN-102293773-A Drug with benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORP 2011-12-28 CN 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 4340/4885APLNR 2826/4885MAPT 2927/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885APLNR 2686/4885MAPT 2335/4885

“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.