SCHEMBL15218655

SCHEMBL15218655

Cc1c(C)c(OCC(=O)N(C)C)c(C)c(C)c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 7/20 0.39
HPGD P15428 6/20 0.39
HSD17B10 Q99714 4/20 0.39
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.35
TP53 P04637 1/20 0.34
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
KEAP1 Q14145 2/20 0.32
NFE2L2 Q16236 2/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL15218653 0.82 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218654 0.76 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5217119 0.73 MEN1 (0.39) SMN1; SMN2ALDH1A1KDM4EGAAL3MBTL1
SCHEMBL15218657 0.71 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218656 0.71 ATR (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8320409 0.67 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11706751 0.66 KMT2A (0.39) ALDH1A1HSD17B10GAAKMT2A
SCHEMBL2368605 0.65 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7343296 0.65 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14220752 0.64 SMN1; SMN2 (0.67) 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.