SCHEMBL1926645

SCHEMBL1926645

COc1ccc(CNC(=O)c2cccc(-c3ccccc3)c2)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.78
RAB9A P51151 1/20 0.78
EPHX2 P34913 1/20 0.71
NR1H4 Q96RI1 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.70
KDM4E B2RXH2 1/20 0.70
ALDH1A1 P00352 1/20 0.70
HPGD P15428 1/20 0.70
SENP1 Q9P0U3 2/20 0.67
MAPK1 P28482 1/20 0.67
AURKA O14965 1/20 0.65
ERN1 O75460 2/20 0.65
MMP13 P45452 3/20 0.62
CFD P00746 1/20 0.62
TP53 P04637 1/20 0.60
ERCC5 P28715 1/20 0.57
FEN1 P39748 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
SCHEMBL5331526 0.91 MMP13 (0.74) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL5331977 0.89 MMP13 (0.76) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL1926263 0.88 NPC1 (1.00) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL2526264 0.87 NPC1 (0.83) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL9416562 0.86 MMP13 (0.76) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL1927512 0.85 EPHX2 (0.77) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL18773965 0.84 NPC1 (0.64) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL26625669 0.84 MMP13 (0.64) NPC1RAB9AEPHX2NR1H4SMN1; SMN2
SCHEMBL3029989 0.84 CFD (0.69) EPHX2NR1H4ALDH1A1SENP1AURKA
SCHEMBL2922655 0.83 MMP13 (0.81) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD

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 NPC1 3792/4885RAB9A 2719/4885EPHX2 4035/4885

“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.