SCHEMBL17678398

SCHEMBL17678398

COC(=O)c1cc(N(C)C)sc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 2/20 0.36
NR4A2 P43354 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL21054378 0.78 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL17398205 0.77 SMN1; SMN2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL5730997 0.72 ALDH1A1 (0.56) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL21962066 0.70 CA2 (0.45) CA12CA1CA2CA7CA9
SCHEMBL21962166 0.70 NPSR1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL29358940 0.69 SOS1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL12987082 0.69 ALDH1A1 (0.68) ALDH1A1MAPTGAAHPGDKMT2A
SCHEMBL21426179 0.68 KDM4E (0.49) CA12CA2CA7CA9CA14
SCHEMBL31092608 0.68 ALDH1A1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL31052715 0.67 KMT2A (0.44) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505745-B2 Enhancer of zeste homolog 2 inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2016-11-29 US disclosed
US-20160102083-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-04-14 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-20160102083-A1 ENHANCER OF ZESTE HOMOLOG 2 INHIBITORS EZH2, BMI1, EZH1 CA12 3230/4885CA1 3443/4885CA2 3669/4885

“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.