SCHEMBL1928098

SCHEMBL1928098

CC(C)CCc1cccc(C(=O)NCCc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.67
RAB9A P51151 9/20 0.67
HDAC2 Q92769 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC3 O15379 1/20 0.64
HDAC4 P56524 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC10 Q969S8 1/20 0.64
HDAC11 Q96DB2 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
LMNA P02545 1/20 0.58
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
TP53 P04637 1/20 0.57
KDM5B Q9UGL1 2/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL1926603 0.88 HDAC2 (0.61) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL1925406 0.88 RAB9A (0.68) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL1696410 0.85 NPC1 (0.72) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL15676745 0.83 RAB9A (0.74) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL14456669 0.82 NPC1 (0.68) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL1696407 0.82 SMN1; SMN2 (0.54) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL8446273 0.81 HDAC6 (0.52) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL14131214 0.81 SLC7A5 (0.57) HDAC8HDAC6SMN1; SMN2HPGDMEN1
SCHEMBL3046094 0.81 SMN1; SMN2 (0.51) NPC1RAB9AHDAC2HDAC8HDAC6
SCHEMBL1928096 0.80 NPC1 (0.65) NPC1RAB9AHDAC2HDAC8HDAC6

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 2719/4885HDAC2 2321/4885

“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.