SCHEMBL504338

SCHEMBL504338

Cc1oc(-c2ccco2)nc1CO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
ALDH1A1 P00352 11/20 0.47
KDM4E B2RXH2 9/20 0.47
HPGD P15428 8/20 0.47
HSD17B10 Q99714 6/20 0.47
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
HRH1 P35367 1/20 0.46
ALOX5 P09917 1/20 0.45
MAPT P10636 5/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CASP1 P29466 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
ALOX15 P16050 2/20 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
SCHEMBL8688232 0.88 DRD2 (0.46) DRD2HTR2AALDH1A1KDM4EHPGD
SCHEMBL13633777 0.85 DRD2 (0.49) DRD2HTR2AALDH1A1KDM4EHPGD
SCHEMBL504421 0.84 DRD2 (0.48) DRD2HTR2AALDH1A1KDM4EHPGD
SCHEMBL8688814 0.82 KDM4E (0.47) DRD2HTR2AALDH1A1KDM4EHPGD
SCHEMBL4034983 0.80 KDR (0.53) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL8691847 0.80 DRD2 (0.46) DRD2HTR2AALDH1A1KDM4EHPGD
SCHEMBL4850848 0.78 PPARG (0.58) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL4035637 0.78 PPARG (0.62) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL4035664 0.78 KDR (0.45) DRD2HTR2AALDH1A1PPARGPPARA
SCHEMBL4850977 0.78 KDR (0.71) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664226-B2 Compound having 3-heteroarylpyrimidin-4-(3H)-one structure and pharmaceutical preparation containing same KOWA COMPANY, LTD. (JP) 2014-03-04 US disclosed
EP-2420501-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME Kowa Company, Ltd. (JP) 2012-02-22 EP disclosed
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-02-02 US disclosed
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-7179823-B1 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-20 US disclosed
CN-1260227-C 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-06-21 CN disclosed
EP-1457490-A1 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity Takeda Chemical Industries, Ltd. (JP) 2004-09-15 EP disclosed
EP-1228067-B1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-07-14 EP disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed
CN-1413207-A 5-membered ring heterocyclic compounds with nitrogen TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-04-23 CN disclosed
EP-1228067-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGYLCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
WO-2001038325-A1 5-MEMBERED N-HETEROCYCLIC COMPOUNDS WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-31 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 (3 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK DRD2 2466/4885HTR2A 2910/4885ALDH1A1 176/4885
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 DRD2 1496/4885HTR2A 1937/4885ALDH1A1 134/4885
US-20120028983-A1 NOVEL COMPOUND HAVING 3-HETEROARYLPYRIMIDIN-4-(3H)-ONE STRUCTURE AND PHARMACEUTICAL PREPARATION CONTAINING SAME AGTR2, AGTR1, GPR119 DRD2 1152/4885HTR2A 300/4885ALDH1A1 2511/4885

“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.