SCHEMBL6994589

SCHEMBL6994589

COc1ccc2c(c1)C1(CN(CCCCl)S2(=O)=O)OCCO1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.35
MMP2 P08253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.31
CA2 P00918 1/20 0.31
CA5A P35218 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
SCHEMBL6994217 0.92 KCNH2 (0.33) HDAC2MMP2CYP1A2CYP2C9CYP2C19
SCHEMBL6995459 0.84 POLB (0.33)
SCHEMBL6996410 0.81 LMNA (0.34) KMT2A
SCHEMBL6996872 0.79 HTR1A (0.45) KCNH2SLC6A2
SCHEMBL6999384 0.78 GRIA2 (0.33)
SCHEMBL6999769 0.78 LMNA (0.33) KMT2A
SCHEMBL6993542 0.78 HTR7 (0.35) CYP1A2KCNH2HRH3MEN1KMT2A
SCHEMBL6994274 0.75 DRD2 (0.46) CYP1A2HTT
SCHEMBL6997971 0.75 HTR7 (0.36) CYP1A2KCNH2HRH3MEN1KMT2A
SCHEMBL6997331 0.74 HTR1A (0.54) KCNH2

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 7 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
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
EP-0749967-B1 Substituted benzothiazine derivative SUNTORY LTD (JP) 2003-01-22 EP 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
EP-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 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-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 HDAC2 1401/4885MMP2 4755/4885CYP1A2 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.