SCHEMBL6972591

SCHEMBL6972591

N#Cc1c[c]c(Sc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.58
MAOA P21397 6/20 0.58
TSHR P16473 1/20 0.40
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.34
L3MBTL1 Q9Y468 4/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
KIF11 P52732 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL15009985 0.83 ALDH1A1 (0.48) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL2985023 0.74 MAOB (1.00) MAOBMAOATSHRALDH1A1KDM4E
SCHEMBL15018242 0.74 MAOA (0.52) MAOBMAOATSHRALDH1A1KDM4E
SCHEMBL6969898 0.73 CYP2A6 (0.38) MAOBMAOATSHRALDH1A1KIF11
SCHEMBL28782655 0.68 TSHR (0.44) MAOBMAOATSHRKDM4EMEN1
SCHEMBL237661 0.66 HPGD (0.38) MAOBMAOAALDH1A1KDM4EMAPT
SCHEMBL2163773 0.66 MAOA (0.36) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL10719244 0.66 MAOA (0.36) MAOBMAOAALDH1A1MAPTHPGD
SCHEMBL4807913 0.66 MAOA (0.67) MAOBMAOATSHRALDH1A1KDM4E
SCHEMBL6964228 0.66 PDE7A (0.49) ALDH1A1MAPTHPGDL3MBTL1MEN1

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
EP-2791121-B1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN INC (US) 2016-08-03 EP disclosed
US-8524745-B2 Benzisothiazol-3(1H)-one-5-sulfonyl derivatives as chemokine receptor modulators ALLERGAN, INC. (US) 2013-09-03 US disclosed
US-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2013-06-13 US disclosed
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 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 (1 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-20130150413-A1 BENZISOTHIAZOL-3(1H)-ONE-5-SULFONYL DERIVATIVES AS CHEMOKINE RECEPTOR MODULATORS CCR5, CCR2, CX3CR1 MAOB 4353/4885MAOA 4653/4885TSHR 676/4885

“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.