SCHEMBL1929655

SCHEMBL1929655

CC(C)CNC(=O)c1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
KMT2A Q03164 1/20 0.69
HSD17B10 Q99714 1/20 0.69
ACACB O00763 9/20 0.69
GPR139 Q6DWJ6 1/20 0.53
HPGD P15428 1/20 0.51
ALOX5 P09917 2/20 0.49
EPHX2 P34913 2/20 0.49
GRM5 P41594 1/20 0.48
ATM Q13315 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL1927935 0.86 GRM5 (0.65) GAAKMT2AHSD17B10ACACBALOX5
SCHEMBL255736 0.82 ACACB (1.00) ACACB
SCHEMBL1927534 0.81 L3MBTL1 (0.61) GAAACACBHPGDALOX5EPHX2
SCHEMBL255251 0.81 GAA (0.76) GAAKMT2AHSD17B10GPR139HPGD
SCHEMBL1928381 0.81 GAA (0.76) GAAKMT2AHSD17B10HPGDEPHX2
SCHEMBL31331780 0.81 GAA (0.76) GAAKMT2AHSD17B10HPGDEPHX2
SCHEMBL27727377 0.80 GAA (0.87) GAAKMT2AHSD17B10ACACBHPGD
SCHEMBL1927040 0.79 SMN1; SMN2 (0.70) GAAKMT2AACACBALOX5EPHX2
SCHEMBL1927069 0.78 NPC1 (0.51) GAAKMT2AACACBHPGDALOX5
SCHEMBL161880 0.77 GAA (0.81) GAAKMT2AHSD17B10ACACBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763509-B1 ALPHA-HELICAL MIMETICS WALTER & ELIZA HALL INST MEDICAL RES (AU) 2018-02-21 EP disclosed
US-7956216-B2 Benzoyl urea derivatives mimicing BH3-only proteins, able to interact with a Bcl-2 protein THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2011-06-07 US disclosed
US-20080153802-A1 Alpha-helical mimetics THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2008-06-26 US disclosed
EP-1763509-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2007-03-21 EP disclosed
WO-2006002474-A1 ALPHA-HELICAL MIMETICS THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH (AU) 2006-01-12 WO 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-20080153802-A1 Alpha-helical mimetics BID, BAX, BAD GAA 1917/4885KMT2A 2959/4885HSD17B10 4090/4885

“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.