SCHEMBL13976972

SCHEMBL13976972

CNCc1ccc(NC(=N)N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.49
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
NPC1 O15118 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
NCF1 P14598 2/20 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
SCHEMBL1743186 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CGRIN2DGRIN3B
SCHEMBL14524510 0.82 NPC1 (0.44) NPC1F7RAB9ASMN1; SMN2MEN1
SCHEMBL10118667 0.81 PEPD (0.53) NOS1NOS3NOS2LOXL2MAPT
SCHEMBL20808597 0.81 LOXL2 (0.42) NOS1NOS3NOS2LOXL2KDM4E
SCHEMBL16181585 0.80 NOS1 (0.52) NOS1NOS3NOS2LOXL2KDM4E
SCHEMBL3772999 0.80 GRIN2D (0.58) MAPTNPC1GRIN2DGRIN3BGRIN1
SCHEMBL3785285 0.79 AOC3 (0.45) NOS1CYP3A4NPC1GRIN2DGRIN3B
SCHEMBL4165820 0.79 PTPN1 (0.54) MAPTNPC1F7RAB9ASMN1; SMN2
SCHEMBL1996992 0.78 F2 (0.50) CYP3A4MAPTNPC1RAB9AF2
SCHEMBL19651945 0.78 MEN1 (0.45) MAPTRAB9ASMN1; SMN2MEN1KMT2A

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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM CORNELL UNIVERSITY (US) 2012-11-22 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-20120295874-A1 COFERONS AND METHODS OF MAKING AND USING THEM MYOF, FTH1, HCCS NOS1 1709/4885NOS3 1825/4885NOS2 1016/4885

“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.