SCHEMBL4719950

SCHEMBL4719950

Fc1ccc(C=NOCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.47
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
HSD11B1 P28845 1/20 0.39
CYP1A2 P05177 2/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL11097349 0.79 MAOB (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11097351 0.79 MAOB (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3455168 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL3971733 0.77 SRC (0.52) PLA2G7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL13398097 0.77 SRC (0.52) PLA2G7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28612858 0.77 CYP1A2 (0.34) NPC1RAB9ACYP1A2PKMCYP3A4
SCHEMBL3971732 0.77 SRC (0.52) PLA2G7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1797266 0.76 LMNA (0.52) PLA2G7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1797264 0.76 LMNA (0.52) PLA2G7GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL2900966 0.76 LMNA (0.52) PLA2G7GRIN2DGRIN3BGRIN1GRIN2A

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
EP-1871770-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS Kalypsys, Inc. (US) 2008-01-02 EP disclosed
US-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders KALYPSYS, INC. 2006-11-09 US disclosed
WO-2006116355-A1 ORTHO-TERPHENYL INHIBITORS OF P38 KINASE AND METHODS OF TREATING INFLAMMATORY DISORDERS KALYPSYS, INC. (US) 2006-11-02 WO 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-20060252807-A1 Novel ortho-terphenyl inhibitors of p38 kinase and methods of treating inflammatory disorders MAPK1, MAP3K1, MAPK4 PLA2G7 2229/4885GRIN2D 2959/4885GRIN3B 1732/4885

“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.