SCHEMBL14945883

SCHEMBL14945883

Cc1nn(-c2ccccc2CC#N)c(=O)n(Cc2ccc(Cl)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
TP53 P04637 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CTSK P43235 1/20 0.37
CNR1 P21554 2/20 0.36
P2RX7 Q99572 1/20 0.36
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
P2RX3 P56373 2/20 0.35

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
SCHEMBL3574045 0.86 THRB (0.41) THRBRXFP1NPC1RAB9ATP53
SCHEMBL16302912 0.86 THRB (0.40) THRBTP53KDM4EALDH1A1CTSK
SCHEMBL3578227 0.78 SMN1; SMN2 (0.51) THRBSMN1; SMN2NPC1GAARAB9A
SCHEMBL3584270 0.73 THRB (0.46) THRBRXFP1SMN1; SMN2TP53ALDH1A1
SCHEMBL3577118 0.72 THRB (0.43) THRBRXFP1NPC1RAB9ATP53
SCHEMBL3577374 0.72 THRB (0.46) THRBRXFP1SMN1; SMN2NPC1RAB9A
SCHEMBL3573435 0.72 THRB (0.43) THRBRXFP1NPC1RAB9ATP53
SCHEMBL3585819 0.71 KDM4E (0.40) THRBRXFP1NPC1RAB9ATP53
SCHEMBL3576746 0.70 THRB (0.41) THRBRXFP1NPC1RAB9ATP53
SCHEMBL3575590 0.68 CTSK (0.64) KDM4EHPGDALDH1A1MAPTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8779129-B2 Triazinedione derivatives as GABAB receptor modulators ADDEX PHARMA S.A. (CH) 2014-07-15 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
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 (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-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 THRB 504/4885RXFP1 76/4885SMN1; 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.