SCHEMBL6994740

SCHEMBL6994740

COC1=CN(CCCBr)S(=O)(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
CA9 Q16790 5/20 0.40
CA12 O43570 4/20 0.40
CA2 P00918 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.38
PAX8 Q06710 1/20 0.38
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36
HSD11B1 P28845 1/20 0.36

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
SCHEMBL6996766 0.74 DRD2 (0.54) LMNADRD2DRD4DRD5DRD3
SCHEMBL7103149 0.69 HTR7 (0.38) MAPTLMNACYP1A2DRD2DRD4
SCHEMBL8973563 0.69 CA9 (0.72) CYP2C19CA9CA12CA2DRD2
SCHEMBL9235840 0.69 ALDH1A1 (0.31)
SCHEMBL6324557 0.65 CA9 (0.73) CYP1A2CYP2C19CA9CA12CA2
SCHEMBL6994168 0.64 L3MBTL1 (0.40) CYP1A2CYP2C9CYP2C19HTTCA2
SCHEMBL9130214 0.64 CA9 (0.51) CA9CA12CA2DRD2DRD4
SCHEMBL5354797 0.64 CA9 (0.71) CA9CA12CA2DRD2DRD4
SCHEMBL4033933 0.64 CA9 (0.71) CA9CA12CA2DRD2DRD4
SCHEMBL8795307 0.63 MAPT (0.56) MAPTLMNACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664251-B2 Serotonin receptor antagonist; treating cardiovascular disorder DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-12-16 US disclosed
EP-0686632-B1 BENZOTHIAZINE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-08-06 EP disclosed
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
US-6316442-B1 TREATMENT OF HEART DISEASE AND CEREBROVASCULAR DISTURBANCES SUNTORY LIMITED (JP) 2001-11-13 US disclosed
US-6001827-A Benzothiazine derivative SUNTORY LIMITED (JP) 1999-12-14 US disclosed
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 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 (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-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 MAPT 4423/4885LMNA 376/4885CYP1A2 496/4885

“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.