SCHEMBL6996892

SCHEMBL6996892

O=C1CN(CCCCl)S(=O)(=O)c2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.65
KMT2A Q03164 2/20 0.52
MDM2 Q00987 1/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
MAPT P10636 1/20 0.46
ELANE P08246 1/20 0.45
CA9 Q16790 9/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 7/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.39

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
Ethylene SCHEMBL8644556 0.97 TDP1 (0.62) TDP1KMT2AMDM2CTDSP1MAPT
Ethylene SCHEMBL6996408 0.85 TDP1 (0.50) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL7001206 0.82 TDP1 (0.44) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL7001209 0.82 TDP1 (0.44) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL9042668 0.82 TDP1 (0.44) TDP1KMT2AMDM2CTDSP1CA9
Ethylene SCHEMBL6999766 0.82 TDP1 (0.49) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL8644165 0.79 TDP1 (0.68) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL8646533 0.79 TDP1 (0.53) TDP1KMT2AMDM2CTDSP1MEN1
Hydrochloric Acid SCHEMBL8643749 0.79 TDP1 (0.67) TDP1KMT2AMDM2CTDSP1MAPT
SCHEMBL13633074 0.78 TDP1 (0.68) TDP1KMT2AMDM2CTDSP1MAPT

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 9 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
US-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed
EP-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 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 TDP1 3378/4885KMT2A 1497/4885MDM2 3062/4885

“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.