SCHEMBL349914

SCHEMBL349914

O=[N+]([O-])c1cc(N=C=S)ccc1CBr

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HSD17B10 Q99714 4/20 0.36
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 2/20 0.36
LTA P01374 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
P2RX3 P56373 2/20 0.36
RAD51 Q06609 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
P2RY6 Q15077 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SNCA P37840 2/20 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
SCHEMBL27839742 0.90 P2RY6 (0.42) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL349148 0.77 P2RY6 (0.45) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL27839743 0.77 PDK1 (0.36) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL3284296 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL9285868 0.76 TDP1 (0.53) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL1457185 0.76 VCAM1 (0.50) ALDH1A1HPGDKDM4EMAPTTDP1
SCHEMBL9060126 0.76 ALDH1A1 (0.40) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL348956 0.76 P2RY6 (0.41) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL349466 0.74 P2RY6 (0.42) ALDH1A1HSD17B10HPGDKDM4EUSP2
SCHEMBL14713516 0.73 TDP1 (0.52) ALDH1A1CYP3A4MAPTTDP1CYP1A2

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 ALDH1A1 1261/4885HSD17B10 478/4885HPGD 3931/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 ALDH1A1 680/4885HSD17B10 516/4885HPGD 3807/4885

“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.