SCHEMBL4039765

SCHEMBL4039765

OCc1ccc(OCc2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYSLTR1 Q9Y271 1/20 0.53
MAPT P10636 4/20 0.51
RAB9A P51151 8/20 0.51
NPC1 O15118 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 4/20 0.50
TSHR P16473 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 2/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
PKM P14618 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PPARA Q07869 1/20 0.48
HPGD P15428 1/20 0.45

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
SCHEMBL4034509 0.86 RAB9A (0.56) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9257856 0.85 ALDH1A1 (0.50) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL6527094 0.84 RAB9A (0.62) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19475521 0.84 RAB9A (0.49) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9428441 0.83 KDM4E (0.58) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL5393711 0.83 RAB9A (0.48) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL19509921 0.82 ALDH1A1 (0.60) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4036753 0.81 ALDH1A1 (0.55) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9090792 0.81 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL9090789 0.81 RAB9A (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP 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
US-20050014813-A1 Process for production of pyrazole compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-01-20 US 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-1445254-A1 PROCESS FOR PRODUCTION OF PYRAZOLE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2004-08-11 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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP 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
US-5504097-A TREATING ATHEROSCLEROSIS BY ADMINISTERING AN ANTILIPEMIC OR ANTICHOLESTEROL AGENT AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-02 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 (2 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 CYSLTR1 537/4885MAPT 4719/4885RAB9A 3908/4885
US-20050014813-A1 Process for production of pyrazole compounds REN, CYP11B1, CYP11B2 CYSLTR1 3358/4885MAPT 3991/4885RAB9A 2309/4885

“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.