SCHEMBL349237

SCHEMBL349237

Cc1cc(CBr)ccc1N=C=S

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MIF P14174 1/20 0.33
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CYP4Z1 Q86W10 1/20 0.32
CYP4F11 Q9HBI6 1/20 0.32
CYP4F12 Q9HCS2 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ABCB11 O95342 1/20 0.31
NR3C1 P04150 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

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
SCHEMBL30604640 0.85 ESR1 (0.44) P2RY6ALDH1A1LMNAMIFCYP3A4
SCHEMBL484214 0.85 ESR1 (0.44) P2RY6ALDH1A1LMNAMIFCYP3A4
SCHEMBL9547690 0.85 ESR1 (0.44) P2RY6ALDH1A1LMNAMIFCYP3A4
SCHEMBL11514099 0.84 ALDH1A1 (0.41) P2RY6ALDH1A1LMNAMIFCYP3A4
SCHEMBL348932 0.80 P2RY6 (0.38) P2RY6ALDH1A1MIFCYP3A4CYP1A2
SCHEMBL368868 0.80 P2RY6 (0.38) P2RY6ALDH1A1MIFCYP3A4CYP1A2
SCHEMBL348869 0.79 P2RY6 (0.37) P2RY6ALDH1A1MIFCYP3A4CYP1A2
SCHEMBL347989 0.79 P2RY6 (0.37) P2RY6ALDH1A1MIFCYP3A4CYP1A2
SCHEMBL6896659 0.78 CYP3A4 (0.55) P2RY6ALDH1A1LMNACYP3A4CYP1A2
SCHEMBL27833135 0.76 P2RY6 (0.35) P2RY6

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 4340/4885ALDH1A1 1261/4885LMNA 1909/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885ALDH1A1 680/4885LMNA 2785/4885

“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.