SCHEMBL14945877

SCHEMBL14945877

O=C1CCCN1c1cccc(-n2nc(CO)c(=O)n(Cc3ccc(Cl)cc3)c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KMT2A Q03164 2/20 0.45
EEF2K O00418 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PARP1 P09874 3/20 0.41
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.40
P2RX7 Q99572 1/20 0.40
CMA1 P23946 1/20 0.39
KCNH2 Q12809 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3580408 0.87 P2RX7 (0.46) NPC1RAB9AKMT2AEEF2KMAPT
SCHEMBL3584604 0.75 NPC1 (0.48) NPC1RAB9AKMT2AMAPTALDH1A1
SCHEMBL14945876 0.75 GPBAR1 (0.39) EEF2KTSHRP2RX3
SCHEMBL14945881 0.72 L3MBTL1 (0.43) MAPTHPGDALDH1A1P2RX3
SCHEMBL14945882 0.72 P2RX3 (0.43) RAB9AKMT2AMAPTTSHRP2RX3
SCHEMBL14945875 0.71 P2RX3 (0.42) NPC1RAB9AKMT2AMAPTHPGD
SCHEMBL3576737 0.70 EEF2K (0.45) EEF2KMAPTHPGDALDH1A1CYP1A2
SCHEMBL14945872 0.70 VEGFA (0.43) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL18528123 0.70 F10 (0.52) HPGDLMNATSHR
SCHEMBL5604853 0.69 ALDH1A1 (0.61) NPC1RAB9AKMT2AHPGDALDH1A1

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 4838/4885RAB9A 2507/4885KMT2A 4282/4885
US-20130123262-A1 NOVEL TRIAZINEDIONE DERIVATIVES AS GABAB RECEPTOR MODULATORS CHRNA5, GABRA5, GABRB3 NPC1 4838/4885RAB9A 2507/4885KMT2A 4282/4885

“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.