SCHEMBL3274985

SCHEMBL3274985

O=C(O)Nc1cc(C2CC2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
CNR2 P34972 2/20 0.44
IDO1 P14902 1/20 0.43
RPS6KA2 Q15349 2/20 0.42
RPS6KA3 P51812 1/20 0.42
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TSHR P16473 1/20 0.39
PDE10A Q9Y233 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
PSMB8 P28062 1/20 0.37
PSMB9 P28065 1/20 0.37
PSMB5 P28074 1/20 0.37

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
SCHEMBL15461382 0.85 MAPK14 (0.48) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL24783813 0.82 ALDH1A1 (0.55) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL16254888 0.79 MAPK14 (0.52) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL1011745 0.78 MAPK14 (0.46) MAPK14IDO1RAB9APDE10AALDH1A1
SCHEMBL16254942 0.78 MAPK14 (0.51) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL13391769 0.76 MAPK14 (0.44) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL16253026 0.75 MAPK14 (0.49) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL26790004 0.75 MAPK14 (0.52) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL26991154 0.74 MAPK14 (0.40) MAPK14CNR2IDO1RPS6KA2RPS6KA3
SCHEMBL31148185 0.74 CNR2 (0.46) MAPK14CNR2IDO1RPS6KA2RPS6KA3

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-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA MAPK14 2825/4885CNR2 7/4885IDO1 841/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA MAPK14 2825/4885CNR2 7/4885IDO1 841/4885

“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.