SCHEMBL1920363

SCHEMBL1920363

c1coc(C2=NCCO2)n1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.36
HPGDS O60760 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32

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
SCHEMBL27584843 0.86
SCHEMBL27664166 0.81 LTA4H (0.30) LTA4H
SCHEMBL17468569 0.70 HPGDS (0.37) LTA4HHPGDSADRA1DADRA1AADRA1B
SCHEMBL968047 0.70 KCNH2 (0.33) LTA4HKCNH2HRH3
SCHEMBL351341 0.69 ADRA2A (0.39) LTA4HKCNH2HRH3ADRA1A
SCHEMBL100765 0.69 HPGDS (0.46) LTA4HHPGDSKCNH2ADRA1DADRA1A
SCHEMBL15843275 0.68 SMN1; SMN2 (0.35) LTA4HKCNH2HRH3
SCHEMBL15843055 0.68 SMN1; SMN2 (0.33) LTA4HKCNH2HRH3
SCHEMBL31001159 0.67 ADRA2A (0.37) LTA4HKCNH2HRH3ADRA1A
Methane SCHEMBL27599015 0.67 ADRA2A (0.37) LTA4HKCNH2HRH3ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105198869-B Oxazole oxazoline derivates, preparation method and its application in terms of plant pathogenic fungi antiseptic is prepared 河南科技大学 2018-05-25 CN claimed
CN-105859713-B A kind of harmel alkali oxazole oxazoline derivates and its preparation method and application 华南农业大学 2017-08-08 CN claimed
CN-106350189-A Special synthesized cutting fluid with ultra-high lubricating property for black metal and preparation method of special synthesized cutting fluid 南京科润新材料技术有限公司 2017-01-25 CN claimed
EP-2326176-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS Merck Sharp & Dohme Corp. (US) 2011-06-01 EP claimed
CN-101998963-A Insecticidal composition DOW AGROSCIENCES LLC (US) 2011-03-30 CN claimed
WO-2010021864-A1 NON-AMIDIC LINKERS WITH BRANCHED TERMINI AS CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2010-02-25 WO claimed
US-10676504-B2 Method for preparing largazole analogs and uses thereof COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2020-06-09 US disclosed
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors WASHINGTON UNIVERSITY (US) 2019-09-24 US disclosed
WO-2019170055-A1 COMPOUNDS HAVING CDK4/6 KINASE INHIBITORY ACTIVITY, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 上海海和药物研究开发有限公司 2019-09-12 WO disclosed
US-10154997-B2 Treatment of parasitic diseases using KDAC inhibitor compounds WASHINGTON UNIVERSITY (US) 2018-12-18 US disclosed
CN-105198869-B Oxazole oxazoline derivates, preparation method and its application in terms of plant pathogenic fungi antiseptic is prepared 河南科技大学 2018-05-25 CN disclosed
CN-105198869-B Oxazole oxazoline derivates, preparation method and its application in terms of plant pathogenic fungi antiseptic is prepared 河南科技大学 2018-05-25 CN disclosed
CN-105198869-B Oxazole oxazoline derivates, preparation method and its application in terms of plant pathogenic fungi antiseptic is prepared 河南科技大学 2018-05-25 CN disclosed
CN-101341129-A Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor xia inhibitors BRISTOL MYERS SQUIBB CO (US) 2009-01-07 CN disclosed
CN-1703937-A Organic electroluminescent device IDEMITSU KOSAN CO (JP) 2005-11-30 CN disclosed
CN-1635903-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2005-07-06 CN disclosed
CN-1444481-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-09-24 CN disclosed
CN-1431904-A Protease inhitors SMITHKLINE BEECHAM CO (US) 2003-07-23 CN disclosed
CN-1416346-A Peotease inhibitors SMITHKLINE BEECHAM CORP (US) 2003-05-07 CN disclosed
CN-1251095-A Lipase capalyzed dynamic resolution of isoxazoline thioester to isoxazoline carboxylic acids PONT PHARMACEUTICAL CO DU (US) 2000-04-19 CN 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-10676504-B2 Method for preparing largazole analogs and uses thereof CYP51A1, ADPRS, LPXN LTA4H 987/4885HPGDS 107/4885KCNH2 4751/4885
US-10421778-B2 Isoform-selective lysine deacetylase inhibitors DOT1L, KDM1A, HDAC1 LTA4H 241/4885HPGDS 2228/4885KCNH2 1383/4885
US-10154997-B2 Treatment of parasitic diseases using KDAC inhibitor compounds HSP90B1, TBCA, RPL17 LTA4H 1888/4885HPGDS 718/4885KCNH2 3403/4885

“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.