SCHEMBL692327

SCHEMBL692327

[CH2]CCC[CH]NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ALDH1A1 P00352 3/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
CCR6 P51684 1/20 0.47
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
NCOR2 Q9Y618 1/20 0.44
PTPN1 P18031 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HPGDS O60760 1/20 0.43

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
SCHEMBL18151630 0.85 HDAC3 (0.58) RAB9ANPC1CTDSP1ALDH1A1LMNA
SCHEMBL5612077 0.76 DRD2 (0.64) RAB9ANPC1CTDSP1HDAC3HDAC1
SCHEMBL31030773 0.75 RAB9A (0.60) RAB9ANPC1CTDSP1ALDH1A1LMNA
SCHEMBL1556345 0.74 NAAA (0.54) RAB9ANPC1ALDH1A1HDAC3HDAC1
SCHEMBL11212751 0.74 HDAC3 (0.49) RAB9ANPC1HDAC3HDAC1HDAC2
SCHEMBL1416822 0.73 NAAA (0.57) RAB9ANPC1ALDH1A1HDAC3HDAC1
SCHEMBL1742301 0.72 NPC1 (0.60) RAB9ANPC1CTDSP1LMNAHDAC3
SCHEMBL1416655 0.70 RAB9A (0.49) RAB9ANPC1ALDH1A1LMNAHDAC3
SCHEMBL692328 0.70 DRD2 (0.59) RAB9ANPC1ALDH1A1LMNAHPGD
SCHEMBL2237461 0.70 SMN1; SMN2 (0.52) RAB9ANPC1CTDSP1ALDH1A1LMNA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346845-B2 Anionic conjugates of glycosylated bacterial metabolite GLYCAN BIOSCIENCES LLC (US) 2016-05-24 US disclosed
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite Glycosynnovations Pty Ltd (AU) 2014-10-30 US disclosed
US-8791245-B2 Anionic conjugates of glycosylated bacterial metabolite Glycan Bioscience LLC (US) 2014-07-29 US disclosed
EP-2421877-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE Glycan Biosciences Pty Ltd (AU) 2012-02-29 EP disclosed
US-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2011-08-04 US disclosed
WO-2010037179-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2010-04-08 WO disclosed
US-7067620-B2 Antibacterial agents THERAVANCE, INC. (US) 2006-06-27 US disclosed
US-20050171010-A1 NOVEL ANTIBACTERIAL AGENTS CUMBERLAND PHARMACEUTICALS INC. 2005-08-04 US disclosed
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 US disclosed
US-6518242-B1 Derivatives of glycopeptide antibacterial agents THERAVANCE, INC. 2003-02-11 US disclosed
US-6288055-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS; PYRIDINE DERIVATIVES LINKED BY LIGAND ADVANCED MEDICINE, INC. 2001-09-11 US disclosed
EP-1083917-A1 NOVEL ANALGESIC AGENTS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999064038-A1 NOVEL ANALGESIC AGENTS ADVANCED MEDICINE, INC. (US) 1999-12-16 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 (4 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-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GNE, CD44, FUT5 RAB9A 945/4885NPC1 2199/4885CTDSP1 2959/4885
US-20050171010-A1 NOVEL ANTIBACTERIAL AGENTS ENGASE, GALE, MGAM RAB9A 2901/4885NPC1 3612/4885CTDSP1 2860/4885
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite GNE, CD44, FUT5 RAB9A 945/4885NPC1 2199/4885CTDSP1 2959/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 RAB9A 2783/4885NPC1 3927/4885CTDSP1 1991/4885

“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.