SCHEMBL18174953

SCHEMBL18174953

CCCCCCOc1ccc(C(C)C)nc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.50
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
LTA4H P09960 3/20 0.45
PLA2G4B P0C869 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RARB P10826 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SLC2A1 P11166 1/20 0.42

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
SCHEMBL18501500 0.95 CYP2D6 (0.44) NR5A1LTA4HKDM4ENPC1MAPT
SCHEMBL13678320 0.88 MAPT (0.44) LTA4HALDH1A1HPGDHTTL3MBTL1
SCHEMBL21214840 0.85 NR5A1 (0.45) NR5A1TP53TSHRLTA4HPLA2G4B
SCHEMBL22006214 0.83 ITGB3 (0.42) KDM4E
SCHEMBL21477247 0.81 CARM1 (0.39) KDM4E
SCHEMBL12248269 0.81 ACACB (0.37) KDM4E
SCHEMBL18291180 0.81 XDH (0.37) KDM4E
SCHEMBL12303239 0.80 NQO1 (0.50) TSHRLTA4HKDM4E
SCHEMBL23489320 0.79 NR1I2 (0.43) KDM4EALDH1A1GAA
SCHEMBL11951667 0.79 TDP1 (0.53) TP53TSHRALDH1A1HTTNPC1

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 2 patents. 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
EP-3085695-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2016-10-26 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-20160340322-A1 SUBSTITUTED TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G NR5A1 419/4885TP53 4623/4885TSHR 478/4885

“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.