SCHEMBL16422657

SCHEMBL16422657

OCc1ccc2oc(C(F)(F)F)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.51
CA2 P00918 5/20 0.51
CA3 P07451 5/20 0.51
CA6 P23280 5/20 0.51
CA7 P43166 5/20 0.51
CA9 Q16790 5/20 0.51
CA14 Q9ULX7 5/20 0.51
CA5B Q9Y2D0 5/20 0.51
CA4 P22748 4/20 0.51
CA5A P35218 3/20 0.51
CA1 P00915 2/20 0.49
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 1/20 0.41
FFAR1 O14842 2/20 0.40
KIF11 P52732 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
SCHEMBL16422518 0.92 CA12 (0.45) CA12CA2CA3CA6CA7
SCHEMBL16434824 0.83 F2 (0.40) CA12CA2CA3CA6CA7
SCHEMBL28190799 0.74 CA12 (0.47) CA12CA2CA9CA1CHRM2
SCHEMBL28128651 0.73 MAOB (0.47) CA12CA2CA6CA7CA9
SCHEMBL15470491 0.73 CA12 (0.56) CA12CA2CA3CA6CA7
SCHEMBL16422597 0.73 CYP2A6 (0.49) CA12CA2CA9CA1CHRM2
SCHEMBL21438775 0.70 KDM4E (0.31)
SCHEMBL676612 0.70 KDM4E (0.45) CA12CA2CA3CA6CA7
SCHEMBL18585605 0.69 CYP2A6 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL26323649 0.69 CA12 (0.56) CA12CA2CA3CA6CA7

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 8 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-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US 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
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 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

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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G CA12 2450/4885CA2 113/4885CA3 578/4885

“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.