SCHEMBL13701799

SCHEMBL13701799

COc1ccc(C(=O)NC(C)(C)C)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.58
HPGDS O60760 1/20 0.53
GABRA5 P31644 1/20 0.50
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.45
GRN P28799 2/20 0.44
SORT1 Q99523 2/20 0.44
PTPN1 P18031 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
AR P10275 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL13701697 0.84 MAPT (0.62) HPGDSGABRA5MAPTLMNAHTT
SCHEMBL14516103 0.81 NNMT (0.64) NNMTHPGDSGABRA5MKNK1MKNK2
SCHEMBL13701718 0.81 GRN (0.63) HPGDSGABRA5GRNSORT1RAB9A
SCHEMBL6932337 0.81 GABRA5 (0.51) HPGDSGABRA5SMN1; SMN2MEN1MAPT
SCHEMBL13701755 0.81 L3MBTL1 (0.65) GABRA5MAPT
SCHEMBL12019310 0.80 NNMT (0.67) NNMTMKNK1MKNK2SMN1; SMN2PTPN1
SCHEMBL1882423 0.80 NNMT (0.67) NNMTMKNK1MKNK2SMN1; SMN2PTPN1
SCHEMBL958814 0.80 HDAC1 (0.46) HPGDSGABRA5MAPTLMNAHTT
SCHEMBL27362572 0.80 NNMT (0.62) NNMTMKNK1MKNK2SMN1; SMN2PTPN1
SCHEMBL13701640 0.80 MEN1 (0.60) HPGDSMKNK1MKNK2MEN1KMT2A

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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 US disclosed
US-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors FLECK ROMAN WOLFGANG 2009-09-10 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-20090227588-A1 Substituted pyrazole compounds useful as soluble epoxide hyrolase inhibitors EPHX1, EPHX2, EPX NNMT 1226/4885HPGDS 18/4885GABRA5 3805/4885
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B NNMT 1584/4885HPGDS 4131/4885GABRA5 383/4885

“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.