SCHEMBL2237461

SCHEMBL2237461

CCCC=CNC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
HDAC3 O15379 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CYP1A2 P05177 2/20 0.51
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 4/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL5604600 0.81 CYP1A2 (0.58) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL6075048 0.81 CYP1A2 (0.58) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL18151630 0.79 HDAC3 (0.58) SMN1; SMN2L3MBTL1ALDH1A1LMNAGAA
SCHEMBL8151739 0.79 NAAA (0.56) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL8151740 0.79 NAAA (0.56) SMN1; SMN2ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL6551872 0.77 RAB9A (0.58) SMN1; SMN2ALDH1A1LMNAGAANPC1
SCHEMBL17188462 0.77 RAB9A (0.58) SMN1; SMN2ALDH1A1LMNAGAANPC1
SCHEMBL6551341 0.76 NPC1 (0.56) SMN1; SMN2ALDH1A1LMNAGAANPC1
SCHEMBL4611015 0.74 NPC1 (0.54) ALDH1A1LMNAGAANPC1RAB9A
SCHEMBL1416655 0.74 RAB9A (0.49) L3MBTL1ALDH1A1LMNAGAANPC1

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 9 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
US-20110190233-A1 ANIONIC CONJUGATES OF GLYCOSYLATED BACTERIAL METABOLITE GLYCAN BIOSCIENCES PTY LTD (AU) 2011-08-04 US 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

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 SMN1; SMN2 3893/4885L3MBTL1 1541/4885ALDH1A1 1240/4885
US-20050171010-A1 NOVEL ANTIBACTERIAL AGENTS ENGASE, GALE, MGAM SMN1; SMN2 4811/4885L3MBTL1 1949/4885ALDH1A1 2635/4885
US-20140323422-A1 Anionic Conjugates of Glycosylated Bacterial Metabolite GNE, CD44, FUT5 SMN1; SMN2 3893/4885L3MBTL1 1541/4885ALDH1A1 1240/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 SMN1; SMN2 4046/4885L3MBTL1 3638/4885ALDH1A1 1021/4885

“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.