SCHEMBL2295833

SCHEMBL2295833

O=C(O)c1cccnc1Sc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
SMN1; SMN2 Q16637 3/20 0.74
GAA P10253 2/20 0.74
PKM P14618 1/20 0.65
ATM Q13315 1/20 0.62
CYP2C9 P11712 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 3/20 0.57
EGLN1 Q9GZT9 1/20 0.55
KDM4E B2RXH2 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.53

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
Hydrochloric Acid SCHEMBL7110024 0.98 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2GAAPKMATM
SCHEMBL7108755 0.87 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2GAAPKMATM
SCHEMBL7577192 0.87 ALDH1A1 (0.97) ALDH1A1SMN1; SMN2GAAPKMATM
SCHEMBL5087696 0.86 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2GAAPKMATM
SCHEMBL7110016 0.86 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2GAAPKMATM
SCHEMBL2553452 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2GAAPKMATM
SCHEMBL146157 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2GAAPKMCYP2C9
SCHEMBL11504619 0.79 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAPKMCYP2C9
SCHEMBL14292052 0.79 PKM (1.00) ALDH1A1SMN1; SMN2GAAPKMCYP2C9
SCHEMBL8371363 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2GAAPKMCYP2C9

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2914580-B1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG CHEMICAL LTD (KR) 2019-02-20 EP disclosed
US-9447044-B2 Thioaryl derivatives as GPR120 agonists LG LIFE SCIENCES LTD. (KR) 2016-09-20 US disclosed
US-20150291527-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2015-10-15 US disclosed
EP-2914580-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG Life Sciences Ltd. (KR) 2015-09-09 EP disclosed
WO-2014069963-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS LG LIFE SCIENCES LTD. (KR) 2014-05-08 WO disclosed
EP-1512683-B1 Novel opiate compounds, methods of making and methods of use RES TRIANGLE INST (US) 2011-08-31 EP disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-6593348-B2 N-substituted(+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl)piperidine compounds; opiod receptors RESEARCH TRIANGLE INSTITUTE 2003-07-15 US disclosed
US-6552032-B2 N-substituted (+)-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine (4a) derivatives RESEARCH TRIANGLE INSTITUTE 2003-04-22 US disclosed
US-6531481-B2 Opioid receptor antagonists and agonists; for example, a 1-(arylcarbonylaminoalkyl),3,4-dimethyl-4-(3-hydroxyphenyl)-piperidine compound of given formula RESEARCH TRIANGLE INSTITUTE 2003-03-11 US disclosed
EP-1061919-A4 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RES TRIANGLE INST (US) 2002-09-04 EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
EP-1061919-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE Carrol, Frank Ivy (US) 2000-12-27 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
WO-1999045925-A1 NOVEL OPIATE COMPOUNDS, METHODS OF MAKING AND METHODS OF USE RESEARCH TRIANGLE INSTITUTE (US) 1999-09-16 WO disclosed
US-5393752-A Psycholigical disorders THERABEL RESEARCH S.A./N.V. (BE) 1995-02-28 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 (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-20150291527-A1 THIOARYL DERIVATIVES AS GPR120 AGONISTS GPR119, GLP1R, GCGR ALDH1A1 1822/4885SMN1; SMN2 4477/4885GAA 2413/4885

“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.