SCHEMBL16534658

SCHEMBL16534658

O=c1nc(N2CCN(c3ccc(F)cc3)CC2)ncn1Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.42
▸ NR1H3 Q13133 3/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ HSD17B10 Q99714 5/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ KMT2A Q03164 3/20 0.39
▸ CYP3A4 P08684 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GLA P06280 1/20 0.39
▸ CYP1A2 P05177 5/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ DHFR P00374 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ USP2 O75604 2/20 0.38
▸ CASP1 P29466 2/20 0.38

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
SCHEMBL16534776 0.86 ADRA1D (0.42) ENPP2HSD17B10TSHRMAPTKMT2A
SCHEMBL16534746 0.86 TSHR (0.40) HSD17B10TSHRMAPTKMT2ACYP3A4
SCHEMBL17955519 0.83 TSHR (0.42) HSD17B10TSHRMAPTKMT2ACYP3A4
SCHEMBL16423404 0.83 MAPT (0.55) HSD17B10MAPTKMT2ACYP3A4ALDH1A1
SCHEMBL16423111 0.82 MEN1 (0.49) HSD17B10TSHRMAPTKMT2ACYP3A4
SCHEMBL16422808 0.82 LIPE (0.44) ENPP2HSD17B10TSHRMAPTKMT2A
SCHEMBL16422981 0.81 SMO (0.47) HSD17B10TSHRMAPTKMT2ACYP3A4
SCHEMBL16534786 0.81 PIK3CD (0.45) HSD17B10TSHRMAPTALDH1A1GLA
SCHEMBL16423441 0.80 POLB (0.56) ENPP2MAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL16423165 0.80 MAPT (0.42) HSD17B10TSHRMAPTKMT2ACYP3A4

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 NR1H2 517/4885NR1H3 927/4885ENPP2 1325/4885

“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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