SCHEMBL1358985

SCHEMBL1358985

CNc1nc2cc[c]cc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.44
IDO1 P14902 1/20 0.37
DYRK1A Q13627 5/20 0.36
ADORA1 P30542 1/20 0.36
NPC1 O15118 9/20 0.35
RAB9A P51151 8/20 0.35
SMN1; SMN2 Q16637 7/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 6/20 0.35
MAPT P10636 5/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
GAA P10253 2/20 0.34
CYP1A2 P05177 2/20 0.34
LMNA P02545 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL18230188 0.86 LDHA (0.41) LDHAIDO1DYRK1AADORA1NPC1
SCHEMBL5969929 0.79 DYRK1A (0.63) DYRK1AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL693730 0.77 GAA (0.50) LDHANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4635926 0.77 RAB9A (0.59) DYRK1AADORA1NPC1RAB9ASMN1; SMN2
SCHEMBL29909885 0.73 IDO1 (0.66) IDO1DYRK1AADORA1NPC1RAB9A
SCHEMBL145436 0.73 KDM4E (0.30) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL758888 0.73 IDO1 (0.66) IDO1DYRK1AADORA1NPC1RAB9A
SCHEMBL14742828 0.73 PSMB8 (0.41) DYRK1A
SCHEMBL3346089 0.72 CASP3 (0.60) DYRK1ANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL25429178 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103211811-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2015-06-10 CN disclosed
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
CN-103211811-A Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-07-24 CN disclosed
CN-101932317-B Stable pharmaceutical composition ASAHI KASEI PHARMA CORP 2013-03-27 CN disclosed
US-8067592-B2 N-alkyny-2-(substituted aryloxy) alkylthioamine derivatives as fungicides SYNGENTA LIMITED (GB) 2011-11-29 US disclosed
US-7956188-B2 N-substituted-2-alkylthio-2-(substituted aryloxy and heteroaryloxy)alkylamides and their sulphinyl and sulphonyl derivatives such as 2-(3,5-dichlorophenoxy)-2-methylthio-N-2-methylprop-2-yl acetamide; fungal infections of plants SYNGENTA CROP PROTECTION, INC. (US) 2011-06-07 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
EP-1638928-B1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LTD (GB) 2010-09-29 EP disclosed
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
WO-2006058700-A1 ACETAMIDE COMPOUNDS AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-06-08 WO disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
EP-1638928-A1 N-ALKYNYL-2-(SUBSTITUTED ARYLOXY)ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES Syngenta Limited (GB) 2006-03-29 EP disclosed
EP-1633730-A1 N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES Syngenta Limited (GB) 2006-03-15 EP disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 US disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO disclosed
WO-2004108694-A1 N-ALKYNYL-2-HETEROARYLOXYALKYLAMIDES FOR USE AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 WO disclosed
WO-2004108663-A1 N-ALKYNYL-2- (SUBSTITUTED ARYLOXY) ALKYLTHIOAMIDE DERIVATIVES AS FUNGICIDES SYNGENTA LIMITED (GB) 2004-12-16 WO disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 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 (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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 LDHA 1513/4885IDO1 669/4885DYRK1A 3323/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 LDHA 1258/4885IDO1 928/4885DYRK1A 4834/4885
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 LDHA 1239/4885IDO1 4153/4885DYRK1A 2912/4885

“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.