SCHEMBL348869

SCHEMBL348869

S=C=Nc1ccc(CBr)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.37
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
MIF P14174 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ABCB11 O95342 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NR3C1 P04150 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2A P08913 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ADRA2C P18825 1/20 0.31
MAOA P21397 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL27820377 0.86 P2RY6 (0.43) P2RY6MIFALOX15TDP1
SCHEMBL31371297 0.85 CYP3A4 (0.44) P2RY6MIFGABRA1GABRB2ABCB11
SCHEMBL368868 0.80 P2RY6 (0.38) P2RY6MIFABCB11ALDH1A1NR3C1
SCHEMBL348932 0.80 P2RY6 (0.38) P2RY6MIFGABRA1GABRB2ABCB11
SCHEMBL349237 0.79 P2RY6 (0.37) P2RY6CYP4F2CYP4A11MIFGABRA1
SCHEMBL347989 0.79 P2RY6 (0.37) P2RY6MIFABCB11ALDH1A1NR3C1
SCHEMBL27833135 0.76 P2RY6 (0.35) P2RY6
SCHEMBL30673505 0.76 ALDH1A1 (0.34) MIFABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL1457687 0.76 ALDH1A1 (0.34) MIFABCB11ALDH1A1NR3C1CYP1A2
SCHEMBL29668125 0.75 ITGB3 (0.43) MIFABCB11ALDH1A1NR3C1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4340/4885CYP4F2 825/4885CYP4A11 256/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885CYP4F2 996/4885CYP4A11 371/4885

“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.