SCHEMBL15218653

SCHEMBL15218653

Cc1c(C)c(OCC(=O)N(C)C)c(C)c(C)c1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 9/20 0.38
KDM4E B2RXH2 7/20 0.38
HPGD P15428 6/20 0.38
HSD17B10 Q99714 4/20 0.38
TSHR P16473 1/20 0.36
LOXL2 Q9Y4K0 2/20 0.36
CYP1A2 P05177 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
ESR1 P03372 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KEAP1 Q14145 2/20 0.31
NFE2L2 Q16236 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL15218655 0.82 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218654 0.80 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218657 0.74 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218656 0.68 ATR (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1976327 0.64 AOC3 (0.35) AOC3
SCHEMBL21574502 0.63 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14220752 0.62 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL9542269 0.62 AOC3 (0.37) AOC3
SCHEMBL394690 0.62 AOC3 (0.33) AOC3
SCHEMBL15432945 0.61 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10

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-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF SHENYANG RESEARCH INSTITUTE OF CHEMICAL INDUSTRY CO., LTD. (CN) 2013-08-29 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-20130225585-A1 PYRAZOLE AMIDE COMPOUNDS AND USES THEREOF BROX, OAT, CAT SMN1; SMN2 4315/4885ALDH1A1 2286/4885KDM4E 2723/4885

“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.