SCHEMBL11971034

SCHEMBL11971034

C#CC(O)/C=C/c1ccc(N(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.50
HSD17B3 P37058 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RELA Q04206 1/20 0.47
PTGS1 P23219 1/20 0.46
MAPT P10636 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CASP1 P29466 2/20 0.44
HBB P68871 2/20 0.44
NPC1 O15118 1/20 0.44
ALOX15 P16050 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
BRCA1 P38398 1/20 0.42
CASP7 P55210 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL11971035 1.00 APP (0.50) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL24740555 0.80 APP (0.59) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL10411804 0.80 APP (0.59) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL10411806 0.80 APP (0.59) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL22359184 0.78 APP (0.57) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL11197059 0.76 CYP1A2 (0.44) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL11197058 0.76 CYP1A2 (0.44) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL9967773 0.74 APP (0.59) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL13467434 0.72 RELA (0.81) APPHSD17B3KDM4ERELAPTGS1
SCHEMBL1714446 0.72 RELA (0.81) APPHSD17B3KDM4ERELAPTGS1

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-9174960-B2 Compounds useful against kinetoplastideae parasites CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2015-11-03 US disclosed
US-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-08-23 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-20120214996-A1 COMPOUNDS USEFUL AGAINST KINETOPLASTIDEAE PARASITES TST, PDXK, TBCB APP 4857/4885HSD17B3 3321/4885KDM4E 854/4885

“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.