SCHEMBL16434936

SCHEMBL16434936

Cc1ncn(Cc2ccc(C(F)(F)F)s2)c(=O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 5/20 0.37
▸ GRIN2B Q13224 5/20 0.37
▸ MCHR1 Q99705 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ NPC1 O15118 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ SENP8 Q96LD8 1/20 0.34
▸ SENP7 Q9BQF6 1/20 0.34
▸ SENP6 Q9GZR1 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ DDR1 Q08345 3/20 0.33
▸ RXRA P19793 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL16434686 0.87 ROCK2 (0.36) GRIN1GRIN2BSMN1; SMN2NPC1ALDH1A1
SCHEMBL16422555 0.84 SMN1; SMN2 (0.32) GRIN1GRIN2BMCHR1SMN1; SMN2NPC1
SCHEMBL18033564 0.81 DDR1 (0.33) GRIN1GRIN2BMCHR1SMN1; SMN2NPC1
SCHEMBL27989244 0.78 MCHR1 (0.32) GRIN1GRIN2BMCHR1SMN1; SMN2NPC1
SCHEMBL16544605 0.78 GRIN1 (0.40) GRIN1GRIN2BMCHR1ALDH1A1RXRA
SCHEMBL27989226 0.77 ADRB1 (0.43) ALDH1A1DDR1KDM4ECYP1A2HPGD
SCHEMBL16544606 0.76 GRIN1 (0.37) GRIN1GRIN2BMCHR1ALDH1A1L3MBTL1
SCHEMBL16423257 0.75 ENPP2 (0.33) ALDH1A1KDM4EHPGDPIK3CDPIK3CA
SCHEMBL18033572 0.75 S1PR1 (0.34) GRIN1GRIN2BMCHR1ALDH1A1KDM4E
SCHEMBL16544604 0.74 GRIN1 (0.36) GRIN1GRIN2BMCHR1L3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 GRIN1 172/4885GRIN2B 132/4885MCHR1 2989/4885

“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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