Sugi Predict

Sugi Predict / Compounds / SCHEMBL3083787

SCHEMBL3083787

SCHEMBL3083787

S=Cc1nc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.51
▸ HDAC3 O15379 1/20 0.51
▸ HDAC4 P56524 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC7 Q8WUI4 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ HDAC10 Q969S8 1/20 0.51
▸ HDAC11 Q96DB2 1/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51
▸ HDAC6 Q9UBN7 1/20 0.51
▸ HDAC9 Q9UKV0 1/20 0.51
▸ HDAC5 Q9UQL6 1/20 0.51
▸ NPC1 O15118 6/20 0.48
▸ RAB9A P51151 6/20 0.48
▸ MAPT P10636 3/20 0.48
▸ PSMB8 P28062 1/20 0.46
▸ ADAMTS5 Q9UNA0 1/20 0.45
▸ TP53 P04637 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ LMNA P02545 1/20 0.44

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
SCHEMBL6421501 0.83 SNCA (0.64) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6421503 0.83 SNCA (0.64) SNCAHDAC3HDAC4HDAC1HDAC7
Benzoxazolinone SCHEMBL31124589 0.80 HDAC3 (0.56) SNCAHDAC3HDAC4HDAC1HDAC7
Benzoxazolinone SCHEMBL140087 0.80 HDAC3 (0.56) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL717591 0.79 SNCA (0.51) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL6598835 0.79 HDAC3 (0.56) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL292136 0.79 SNCA (0.51) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL717590 0.79 SNCA (0.51) SNCAHDAC3HDAC4HDAC1HDAC7
SCHEMBL223564 0.79 HDAC3 (0.56) SNCAHDAC3HDAC4HDAC1HDAC7
Benzoxazolinone SCHEMBL10640397 0.78 HDAC3 (0.54) SNCAHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110403939-A For treating the tricyclic nitrogenous compound of N. gonorrhoeae infections GLAXOSMITHKLINE INTELECTUAL PROPERTY DEV LTD 2019-11-05 — — CN disclosed
CN-108409617-B A kind of synthetic method of sulfide compound 湘潭大学 2019-09-27 — — CN disclosed
CN-106659717-B Tricyclic nitrogen-containing compounds for the treatment of neisseria gonorrhoeae infections 葛兰素史密斯克莱知识产权发展有限公司 2019-09-06 — — CN disclosed
CN-108409617-A A kind of synthetic method of sulfide compound 湘潭大学 2018-08-17 — — CN disclosed
CN-106659717-A Tricyclic nitrogen-containing compounds for the treatment of neisseria gonorrhoeae infections 葛兰素史密斯克莱知识产权发展有限公司 2017-05-10 — — CN disclosed
CN-105492008-A Novel compounds and compositions for inhibition of fasn FORMA THERAPEUTICS INC 2016-04-13 — — CN disclosed
CN-102791690-B As the disubstituted pyridines derivative of anticarcinogen OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2015-12-02 — — CN disclosed
CN-102791690-A Di-substituted pyridine derivatives as anticancers OTSUKA PHARMA CO LTD 2012-11-21 — — CN disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 — — CN disclosed
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 — — US disclosed
CN-101321529-A Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD (JP) 2008-12-10 — — CN disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 — — EP disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 — — EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 — — US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 — — US disclosed
US-6660858-B2 Made by reacting a benzoxazole with a leaving group at the 2 position and a diamine of given formula LION BIOSCIENCE AG (DE) 2003-12-09 — — US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 — — US disclosed
US-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof LION BIOSCIENCE, AG (DE) 2002-10-31 — — US disclosed
WO-2002079753-A2 2-AMINOBENZOXAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2002-10-10 — — WO disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 — — EP 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-20020161028-A1 2-aminobenzoxazole derivatives and combinatorial libraries thereof BCAT2, IL4I1, BCAT1 SNCA 4377/4885HDAC3 1491/4885HDAC4 258/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 SNCA 1461/4885HDAC3 75/4885HDAC4 531/4885

“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.