SCHEMBL15218657

SCHEMBL15218657

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ESR1 P03372 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30

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
SCHEMBL15218656 0.75 ATR (0.35) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218653 0.74 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6363358 0.74 RAB9A (0.43) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL15218654 0.72 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15218655 0.71 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL6363168 0.69 HTR2C (0.41) MEN1KMT2ACACNA1GCACNA1BCACNA1C
SCHEMBL13451748 0.68 HDAC6 (0.40) ALDH1A1CACNA1GCACNA1BCACNA1CHTR2C
SCHEMBL6368953 0.66 HTR2C (0.39) MEN1KMT2ARAB9ANPSR1NPC1
SCHEMBL26353762 0.66 CACNA1G (0.38) SMN1; SMN2ALDH1A1MEN1KMT2ACACNA1G
SCHEMBL380793 0.66 HTR2C (0.39) ALDH1A1CACNA1GCACNA1BCACNA1CHTR2C

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.