SCHEMBL1926318

SCHEMBL1926318

O=C(NCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.77
NR1H4 Q96RI1 1/20 0.77
HDAC1 Q13547 2/20 0.75
HDAC6 Q9UBN7 2/20 0.75
HDAC3 O15379 1/20 0.75
HDAC4 P56524 1/20 0.75
HDAC7 Q8WUI4 1/20 0.75
HDAC2 Q92769 1/20 0.75
HDAC10 Q969S8 1/20 0.75
HDAC11 Q96DB2 1/20 0.75
HDAC8 Q9BY41 1/20 0.75
HDAC9 Q9UKV0 1/20 0.75
HDAC5 Q9UQL6 1/20 0.75
ADAMTS4 O75173 1/20 0.73
ADAMTS5 Q9UNA0 1/20 0.73
TRPV1 Q8NER1 1/20 0.69
MMP13 P45452 1/20 0.68
RAB9A P51151 2/20 0.68
NPC1 O15118 1/20 0.68
CA1 P00915 1/20 0.66

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
SCHEMBL5226231 0.90 HDAC6 (0.72) EPHX2NR1H4HDAC1HDAC6HDAC2
SCHEMBL3461078 0.90 HDAC6 (0.70) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL15764498 0.90 ADAMTS5 (0.65) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL539059 0.89 EPHX2 (0.84) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL8987867 0.88 MEN1 (0.78) EPHX2HDAC1HDAC6HDAC4HDAC7
SCHEMBL6386658 0.86 HDAC6 (1.00) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL16712996 0.85 ROCK2 (0.74) MMP13RAB9AMEN1KMT2ASCN2A
SCHEMBL8163393 0.85 MCHR1 (0.77) HDAC6HDAC2HDAC8ADAMTS5RAB9A
SCHEMBL4981515 0.84 EPHX2 (0.77) EPHX2NR1H4HDAC1HDAC6HDAC3
SCHEMBL1927145 0.84 EPHX2 (0.77) EPHX2NR1H4HDAC1HDAC6HDAC3

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 EPHX2 4035/4885NR1H4 1855/4885HDAC1 1665/4885

“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.