SCHEMBL2036497

SCHEMBL2036497

O=[N+]([O-])c1ccc(S)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
HIF1A Q16665 1/20 0.57
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPRC P08575 1/20 0.44
S100A4 P26447 1/20 0.44
HSPB1 P04792 3/20 0.42
GPR35 Q9HC97 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL31554518 1.00 ALDH1A1 (0.57) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL28027920 0.83 ALDH1A1 (0.62) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL11822059 0.80 TSHR (0.52) ALDH1A1HIF1ATSHRLMNATDP1
SCHEMBL29379039 0.80 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL85604 0.80 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL28252591 0.80 ALDH1A1 (0.69) ALDH1A1HIF1ATSHRLMNAKMT2A
Hydrochloric Acid SCHEMBL30306150 0.78 ALDH1A1 (0.67) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL31474855 0.77 ALDH1A1 (0.70) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL3029469 0.77 ALDH1A1 (0.59) ALDH1A1HIF1ATSHRLMNAKMT2A
SCHEMBL1637306 0.77 ALDH1A1 (0.70) ALDH1A1HIF1ATSHRLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104072480-B Quinolines and its preparation method and application 沈阳药科大学 2016-12-28 CN disclosed
CN-104119317-B Quinolines containing 1,2,3-triazole and its preparation method and application 沈阳药科大学 2016-08-17 CN disclosed
CN-105017217-A Pyrazolone-containing quinoline compound and preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2015-11-04 CN disclosed
CN-104119317-A Quinoline compound containing 1,2,3-triazole as well as preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-10-29 CN disclosed
CN-104072480-A Quinoline type compounds and preparing method and applications thereof UNIV SHENYANG PHARMACEUTICAL 2014-10-01 CN disclosed
CN-103965107-A 2-aryl-substituted quinoline compounds and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-08-06 CN disclosed
CN-102643268-B Quinoline and cinnoline compound and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-05-21 CN disclosed
CN-103709145-A Quinolines compound containing hexahydropyrimidone as well as preparation method and application thereof UNIV SHENYANG PHARMACEUTICAL 2014-04-09 CN disclosed
CN-101812003-B Small-angle inverted V-shaped fluorine-containing lateral chain ferroelectric liquid crystal compound and synthesis method thereof UNIV BEIHANG 2013-02-20 CN disclosed
CN-102643268-A Quinoline and cinnoline compound and application thereof UNIV SHENYANG PHARMACEUTICAL 2012-08-22 CN disclosed
US-20060264481-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2006-11-23 US disclosed
EP-1722789-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY Amgen Inc. (US) 2006-11-22 EP disclosed
US-7041691-B1 Compounds for the modulation of PPARγ activity AMGEN INC. (US) 2006-05-09 US disclosed
US-20050250820-A1 Therapeutic modulation of PPARgamma activity AMGEN INC. (US) 2005-11-10 US disclosed
WO-2005086904-A2 THERAPEUTIC MODULATION OF PPAR (GAMMA) ACTIVITY AMGEN INC. (US) 2005-09-22 WO disclosed
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine TULARIK INC. 2004-12-09 US disclosed
US-6770648-B2 ANTIDIABETIC AGENTS TULARIK INC. 2004-08-03 US disclosed
US-20030139390-A1 Compounds for the modulation of PPARgamma activity TULARIK INC. 2003-07-24 US disclosed
EP-1192137-A1 COMPOUNDS FOR THE MODULATION OF PPAR$g(g) ACTIVITY Tularik Inc. (US) 2002-04-03 EP disclosed
WO-2001000579-A1 COMPOUNDS FOR THE MODULATION OF PPARη ACTIVITY TULARIK INC. (US) 2001-01-04 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-20050250820-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD ALDH1A1 1672/4885HIF1A 1761/4885TSHR 653/4885
US-20060264481-A1 Therapeutic modulation of PPARgamma activity PPARG, PPARA, PPARD ALDH1A1 1672/4885HIF1A 1761/4885TSHR 653/4885
US-20030139390-A1 Compounds for the modulation of PPARgamma activity PPARG, PPARA, PPARD ALDH1A1 1831/4885HIF1A 2857/4885TSHR 645/4885
US-20040248882-A1 Noninsulin dependent diabetes, obesity, hypercholesterolemia, inflammatory disorders; reduced side effects; such as 5-(4-acetylbenzenesulfonamido-2-fluorophenoxy)-3-chloropyridine PPARD, PPARG, PPARA ALDH1A1 1482/4885HIF1A 2784/4885TSHR 2689/4885

“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.