SCHEMBL1925940

SCHEMBL1925940

CSCCNC(=O)c1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.55
EPHX2 P34913 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 4/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RECQL P46063 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL12574371 0.88 SMN1; SMN2 (0.62) HDAC1HDAC2HDAC8NPC1RAB9A
SCHEMBL1927629 0.86 NPC1 (0.65) HDAC1HDAC2HDAC8EPHX2NR1H4
SCHEMBL4347123 0.86 RAB9A (0.68) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1927120 0.83 L3MBTL1 (0.67) HDAC1HDAC2HDAC8EPHX2NR1H4
SCHEMBL38652196 0.82 HDAC1 (0.59) HDAC1HDAC2HDAC8EPHX2NR1H4
SCHEMBL1927069 0.82 NPC1 (0.51) EPHX2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1925893 0.81 SMN1; SMN2 (0.77) HDAC1HDAC2HDAC8EPHX2NR1H4
SCHEMBL12757516 0.80 HDAC8 (0.60) HDAC1HDAC2HDAC8EPHX2NR1H4
SCHEMBL18759318 0.80 CFD (0.61) HDAC1HDAC2HDAC8EPHX2NR1H4
SCHEMBL11675554 0.80 PPARG (0.62) HDAC1HDAC2HDAC8EPHX2NR1H4

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 HDAC1 1665/4885HDAC2 2321/4885HDAC8 1950/4885

“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.