SCHEMBL12277239

SCHEMBL12277239

[2H]c1sc(N(C)C)nc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 3/20 0.36
HSD17B10 Q99714 1/20 0.36
CSNK2A2 P19784 2/20 0.35
CSNK2B P67870 2/20 0.35
CSNK2A1 P68400 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
ECE1 P42892 1/20 0.32
HPGD P15428 1/20 0.32
ADORA2A P29274 1/20 0.31
P4HTM Q9NXG6 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
SCHEMBL986229 0.81 L3MBTL1 (0.49) MEN1KMT2AKDM4EALDH1A1ALOX15
Bromide SCHEMBL3528035 0.79 L3MBTL1 (0.47) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL11921727 0.75
SCHEMBL12241846 0.72
SCHEMBL12277646 0.70 L3MBTL1 (0.40) KDM4EALDH1A1ALOX15L3MBTL1TSHR
Hydrochloric Acid SCHEMBL5013616 0.67 MEN1 (0.43) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL24035929 0.64 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1
SCHEMBL8879840 0.64 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1HIF1A
SCHEMBL30889068 0.63 L3MBTL1 (0.42) KDM4EALDH1A1L3MBTL1
SCHEMBL15888636 0.62 L3MBTL1 (0.41) KDM4EALDH1A1L3MBTL1TDP1

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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 MEN1 525/4885KMT2A 253/4885KDM4E 452/4885

“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.