SCHEMBL14945869

SCHEMBL14945869

CC(=O)Nc1cccc(-n2nc(C(C)=O)c(=O)n(Cc3ccc(Cl)cc3)c2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.46
P2RX3 P56373 1/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.44
RIPK1 Q13546 1/20 0.42
EEF2K O00418 2/20 0.42
NOD1 Q9Y239 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
CNR1 P21554 1/20 0.40
ERCC5 P28715 1/20 0.40
MCHR1 Q99705 1/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL3578024 0.93 NPC1 (0.50) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3580638 0.91 NPC1 (0.46) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3586554 0.89 NPC1 (0.52) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3581650 0.88 NPC1 (0.44) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3584604 0.88 NPC1 (0.48) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3583477 0.88 NPC1 (0.48) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3578616 0.87 NPC1 (0.48) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3585933 0.87 NPC1 (0.48) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3588403 0.86 NPC1 (0.47) NPC1LMNASMN1; SMN2RAB9AGAA
SCHEMBL3583515 0.86 NPC1 (0.47) NPC1LMNASMN1; SMN2RAB9AGAA

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-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2014-12-18 US disclosed
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 US disclosed
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS ADDEX PHARMA S.A. (CH) 2013-05-16 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 (2 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-20140371223-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885LMNA 3784/4885SMN1; SMN2 301/4885

“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.