SCHEMBL18256807

SCHEMBL18256807

Cc1ccc(C(F)(F)C(F)(F)F)s1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
PRMT6 Q96LA8 1/20 0.31

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
SCHEMBL129044 0.80 DAO (0.45) DAONPC1MAPTCASP3RAB9A
SCHEMBL16548502 0.78 NPC1 (0.38) DAONPC1MAPTCASP3RAB9A
SCHEMBL128138 0.77 MLYCD (0.41) DAOSMN1; SMN2
SCHEMBL8448158 0.76 DAO (0.32) DAONPC1MAPTCASP3RAB9A
SCHEMBL14227644 0.72 MAPK1 (0.39) DAONPC1MAPTCASP3RAB9A
SCHEMBL279712 0.72 MAPK1 (0.39) DAONPC1MAPTCASP3RAB9A
SCHEMBL16854932 0.71
SCHEMBL27989177 0.71 TUBB4A (0.32)
SCHEMBL353045 0.70 NPC1 (0.34) DAONPC1MAPTCASP3RAB9A
SCHEMBL23564899 0.68 NPC1 (0.33) DAONPC1MAPTCASP3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-11-24 US 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G DAO 2091/4885NPC1 2085/4885MAPT 1295/4885

“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.