SCHEMBL10112959

SCHEMBL10112959

CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.72
MEN1 O00255 2/20 0.72
GAA P10253 2/20 0.71
L3MBTL1 Q9Y468 2/20 0.68
HPGD P15428 1/20 0.68
HSD17B10 Q99714 1/20 0.60
TP53 P04637 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
PKM P14618 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA7 P43166 1/20 0.58
CA9 Q16790 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL10112962 0.91 KMT2A (0.81) KMT2AMEN1GAAL3MBTL1HSD17B10
SCHEMBL15976551 0.87 ALDH1A1 (0.74) KMT2AMEN1GAAL3MBTL1HPGD
SCHEMBL28595517 0.87 ALDH1A1 (0.78) KMT2AMEN1GAAL3MBTL1HPGD
SCHEMBL13419901 0.86 ALDH1A1 (0.63) KMT2AMEN1GAAALDH1A1CA12
SCHEMBL10279640 0.84 PKM (0.67) KMT2AMEN1GAAL3MBTL1HPGD
SCHEMBL3392657 0.84 GAA (0.76) KMT2AMEN1GAAL3MBTL1HPGD
SCHEMBL19752718 0.84 GAA (0.76) KMT2AMEN1GAAL3MBTL1HPGD
SCHEMBL10112947 0.83 HSD17B10 (0.69) KMT2AGAAL3MBTL1HPGDHSD17B10
SCHEMBL19752674 0.81 USP2 (0.71) KMT2AMEN1HSD17B10KDM4EALDH1A1
SCHEMBL5327469 0.81 USP2 (0.71) KMT2AMEN1HSD17B10KDM4EALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-8178542-B2 Methods and compositions for treating pain HYDRA BIOSCIENCES, INC. (US) 2012-05-15 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 US disclosed
US-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ELI LILLY AND COMPANY 2010-10-21 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-20100267750-A1 METHODS AND COMPOSITIONS FOR TREATING PAIN ACHE, COL2A1, MMP8 KMT2A 3581/4885MEN1 4652/4885GAA 876/4885

“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.