SCHEMBL16534496

SCHEMBL16534496

O=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1ccc(C(F)(F)F)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MLYCD O95822 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ HTR7 P34969 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD5 P21918 1/20 0.37
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 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
SCHEMBL16423145 0.89 TRPA1 (0.37) GAAMAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL16434727 0.87 MAPT (0.40) GAAMAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL16422546 0.85 AR (0.38) TSHRMLYCDSMN1; SMN2ALDH1A1HTR7
SCHEMBL16534603 0.85 PSEN1 (0.40) GAAMAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL16422663 0.85 MEN1 (0.43) GAAMAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL16434967 0.85 TDP1 (0.43) GAAMAPTHSD17B10SMN1; SMN2MEN1
SCHEMBL16534829 0.85 LMNA (0.43) GAAMAPTTSHRHSD17B10MLYCD
SCHEMBL16422288 0.84 GAA (0.38) GAAMAPTTSHRHSD17B10SMN1; SMN2
SCHEMBL27989226 0.84 ADRB1 (0.43) TSHRHSD17B10MEN1KMT2ALMNA
SCHEMBL16423363 0.84 NPSR1 (0.36) GAAHSD17B10MEN1KMT2AALDH1A1

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
CN-104203928-A Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL IND LTD 2014-12-10 — — CN 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 GAA 4564/4885MAPT 627/4885TSHR 1231/4885

“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.

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