SCHEMBL349254

SCHEMBL349254

FC(F)(F)c1cc(N=C=S)ccc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 2/20 0.38
MIF P14174 2/20 0.33
PNMT P11086 1/20 0.33
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LTA P01374 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
P2RX3 P56373 2/20 0.32
RAD51 Q06609 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
RAD1 O60671 1/20 0.32
IDO1 P14902 2/20 0.32
HTR3E A5X5Y0 1/20 0.31
HTR3B O95264 1/20 0.31
HTR3A P46098 1/20 0.31
HTR3D Q70Z44 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
SCHEMBL29116331 0.83 MIF (0.42) P2RY6MIFPNMTHSD17B10KDM4E
SCHEMBL16174844 0.81 RXRA (0.45) P2RY6MIFPNMTHSD17B10KDM4E
SCHEMBL20076093 0.81 P2RY6 (0.36) P2RY6MIFPNMTHSD17B10KDM4E
SCHEMBL25191267 0.80 CYP3A4 (0.36) P2RY6CYP3A4
SCHEMBL349148 0.79 P2RY6 (0.45) P2RY6MIFPNMTHSD17B10KDM4E
SCHEMBL24566018 0.79 NR1H2 (0.41) KDM4EALDH1A1
SCHEMBL19073460 0.78 IDO1 (0.34) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL349270 0.78 P2RY6 (0.41) P2RY6MIFPNMTHSD17B10KDM4E
SCHEMBL27973968 0.78 P2RY6 (0.37) P2RY6MIFPNMTHSD17B10KDM4E
SCHEMBL24566560 0.77 NR1H2 (0.45) KDM4EALDH1A1CYP3A4TDP1

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 4340/4885MIF 4473/4885PNMT 1015/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 P2RY6 4553/4885MIF 4348/4885PNMT 790/4885

“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.