SCHEMBL348956

SCHEMBL348956

S=C=Nc1ccc(CBr)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.41
TDP1 Q9NUW8 3/20 0.39
MAPK1 P28482 1/20 0.39
MIF P14174 1/20 0.36
PNMT P11086 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
HSD17B10 Q99714 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 3/20 0.34
KDM4E B2RXH2 2/20 0.34
USP2 O75604 2/20 0.34
LTA P01374 2/20 0.34
HPGD P15428 2/20 0.34
P2RX3 P56373 2/20 0.34
RAD51 Q06609 2/20 0.34
RAD1 O60671 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL28964039 0.86 P2RY6 (0.47) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL3291990 0.85 P2RY6 (0.44) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL349148 0.83 P2RY6 (0.45) P2RY6TDP1MIFPNMTGABRA1
SCHEMBL10999891 0.82 MAPK1 (0.61) TDP1MAPK1GABRA1GABRB2CYP3A4
SCHEMBL19277835 0.82 P2RY6 (0.41) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL28941324 0.82 P2RY6 (0.41) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL349466 0.80 P2RY6 (0.42) P2RY6TDP1MIFPNMTGABRA1
SCHEMBL348839 0.79 P2RY6 (0.41) P2RY6TDP1MAPK1MIFPNMT
SCHEMBL349270 0.79 P2RY6 (0.41) P2RY6TDP1MIFPNMTGABRA1
SCHEMBL27851372 0.77 P2RY6 (0.40) P2RY6TDP1MIFPNMTGABRA1

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 4340/4885TDP1 2209/4885MAPK1 2040/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885TDP1 2552/4885MAPK1 2341/4885

“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.