SCHEMBL7369259

SCHEMBL7369259

NCc1ccc(C(F)(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.41
CYP2E1 P05181 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C9 P11712 4/20 0.41
CYP2B6 P20813 4/20 0.41
CYP2C19 P33261 4/20 0.41
DAO P14920 1/20 0.41
LTA4H P09960 1/20 0.38
ERCC5 P28715 1/20 0.37
FEN1 P39748 1/20 0.37
LOX P28300 12/20 0.35
LOXL2 Q9Y4K0 5/20 0.35
CYP2D6 P10635 3/20 0.35
MAOA P21397 1/20 0.35
CYP1A2 P05177 2/20 0.33
CYP2C8 P10632 2/20 0.33
ASIC3 Q9UHC3 1/20 0.32

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
SCHEMBL16422278 0.83 CYP2A6 (0.38) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL12648423 0.79 DAO (0.42) DAOERCC5FEN1
SCHEMBL125911 0.77 DAO (0.45) CYP2A6DAOERCC5FEN1
SCHEMBL7993832 0.77 DAO (0.41) DAOERCC5FEN1
SCHEMBL2694202 0.77 CYP2E1 (0.45) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL15922271 0.77 DAO (0.41) DAOERCC5FEN1
SCHEMBL130842 0.77 DAO (0.41) DAOERCC5FEN1
SCHEMBL16692578 0.77 IDO1 (0.42) DAOERCC5FEN1
SCHEMBL19558695 0.77 CYP2E1 (0.37) CYP2A6CYP2E1CYP3A4CYP2C9CYP2B6
SCHEMBL20866560 0.76 DAO (0.39) DAOERCC5FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP disclosed
US-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-18 US disclosed
EP-3053917-A1 T-TYPE CALCIUM CHANNEL BLOCKER Nissan Chemical Industries, Ltd. (JP) 2016-08-10 EP disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP disclosed
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 CN disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 WO 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 (2 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-20160237071-A1 T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1I, CACNA1G, CACNA1H CYP2A6 760/4885CYP2E1 1622/4885CYP3A4 1365/4885
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G CYP2A6 1029/4885CYP2E1 2336/4885CYP3A4 1673/4885

“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.