SCHEMBL1928387

SCHEMBL1928387

O=C(NC1CCCCC1)c1cccc(-c2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.67
NPC1 O15118 4/20 0.67
ERN1 O75460 1/20 0.67
PKM P14618 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.64
USP30 Q70CQ3 2/20 0.64
SMN1; SMN2 Q16637 4/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
KDM4E B2RXH2 1/20 0.62
GFER P55789 1/20 0.62
HSD17B10 Q99714 1/20 0.62
FAAH O00519 1/20 0.60
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
HPGD P15428 1/20 0.58
HTR2B P41595 1/20 0.58

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
SCHEMBL2980074 0.98 PKM (0.68) RAB9ANPC1ERN1PKML3MBTL1
SCHEMBL3037026 0.90 ERN1 (0.65) RAB9ANPC1ERN1PKML3MBTL1
SCHEMBL16622858 0.89 NPC1 (0.64) RAB9ANPC1ERN1PKMSMN1; SMN2
SCHEMBL6707186 0.87 RAB9A (0.79) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL9265040 0.87 RAB9A (0.79) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL22289346 0.86 NPC1 (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL19445791 0.86 RAB9A (0.72) RAB9ANPC1PKML3MBTL1SMN1; SMN2
SCHEMBL22308180 0.86 NPC1 (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2983895 0.86 NPC1 (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL23594174 0.85 NPC1 (0.73) RAB9ANPC1PKML3MBTL1SMN1; SMN2

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 RAB9A 2719/4885NPC1 3792/4885ERN1 845/4885

“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.