SCHEMBL6208056

SCHEMBL6208056

C1=Nc2ccccc2Sc2cccnc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.58
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
BACE1 P56817 1/20 0.33
KDM1A O60341 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
MAPK10 P53779 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DRD2 P14416 1/20 0.30
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
CYP1A2 P05177 1/20 0.30
BCHE P06276 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ALOX12 P18054 1/20 0.30
MAOA P21397 1/20 0.30
CNR1 P21554 1/20 0.30

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
SCHEMBL11564552 0.77 TRPA1 (0.62) TRPA1ALDH1A1ALOX15MAPK10HSD17B10
Dibenzo[B,F][1,4]Thiazepine SCHEMBL696578 0.74 TRPA1 (1.00) TRPA1KMT2AMEN1BACE1ALOX15
SCHEMBL10701435 0.71 TRPA1 (0.41) TRPA1KMT2AMEN1KDM1AALDH1A1
SCHEMBL8113430 0.71 TRPA1 (0.41) TRPA1KMT2AMEN1BACE1KDM1A
SCHEMBL1726796 0.68 TRPA1 (0.56) TRPA1BACE1DRD2BCHESLC6A2
SCHEMBL89481 0.67 TRPA1 (0.55) TRPA1BACE1ALOX15CYP3A4
SCHEMBL15572241 0.67 TRPA1 (0.50) TRPA1KMT2AMEN1MAPTPOLB
SCHEMBL2514190 0.67 TRPA1 (0.55) TRPA1BACE1
SCHEMBL24828 0.67 TRPA1 (0.54) TRPA1KMT2AMEN1BACE1ALOX15
SCHEMBL11595464 0.66 TRPA1 (0.45) TRPA1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1246828-B1 BENZOSULFONES WITH CALCIUM ANTAGONIST ACTIVITY ORTHO MCNEIL PHARM INC (US) 2005-12-07 EP disclosed
EP-1200446-B1 OXATHIEPINO 6,5- i b /i ]DIHYDROPYRIDINES, AND RELATED COMPOSITIONS AND METHODS ORTHO MCNEIL PHARM INC (US) 2005-08-17 EP disclosed
EP-1194429-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2005-03-30 EP disclosed
EP-1265903-B1 THIEPINO[3,2-B]DIHYDROPYRIDINES AND RELATED COMPOSITIONS AND METHODS ORTHO MCNEIL PHARM INC (US) 2004-05-12 EP disclosed
EP-1040097-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2004-04-14 EP disclosed
US-20030225120-A1 Dihydropyridine soft drugs, and related compositions and methods DODD JOHN H (US) 2003-12-04 US disclosed
EP-1192163-B1 DITHIEPINO 6,5-b]PYRIDINES, AND RELATED COMPOSITIONS AND METHODS ORTHO MCNEIL PHARM INC (US) 2003-09-17 EP disclosed
US-6562824-B2 Calcium channel blockers; cardiovascular disorders; side effect reduction ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
EP-1296990-A2 DIHYDROPYRIDINE COMPOUNDS FOR THE INHIBITION OF CALCIUM-INFLUX Ortho-McNeil Pharmaceutical, Inc. (US) 2003-04-02 EP disclosed
EP-1265903-A1 THIEPINO[3,2-B]DIHYDROPYRIDINES AND RELATED COMPOSITIONS AND METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-12-18 EP disclosed
CN-1034077-C Process for preparing pyrido [2, 3-f ] [1, 4] thiazepines ORTHO PHARMA CORP (US) 1997-02-19 CN disclosed
CN-1118783-A A process for preparing novel pyrido (3,2-B)(1,5) benzothiazepines ORTHO PHARMA CORP (US) 1996-03-20 CN disclosed
EP-0462696-B1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMA CORP (US) 1995-08-09 EP disclosed
EP-0462696-B1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMA CORP (US) 1995-08-09 EP disclosed
EP-0462696-A1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-27 EP disclosed
EP-0462696-A1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-27 EP disclosed
EP-0462696-A1 Novel pyrido [2,3-f][1,4] thiazepines and pyrido [3,2-b][1,5] benzothiazepines ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-27 EP disclosed
US-5075440-A Hypotensive, bronchodilator agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-24 US disclosed
US-5075440-A Hypotensive, bronchodilator agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-24 US disclosed
US-5075440-A Hypotensive, bronchodilator agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-12-24 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-20030225120-A1 Dihydropyridine soft drugs, and related compositions and methods CACNA1E, KCNN4, ATP2A1 TRPA1 62/4885KMT2A 2306/4885MEN1 2097/4885

“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.