Sugi Predict

Sugi Predict / Compounds / SCHEMBL1609108

SCHEMBL1609108

SCHEMBL1609108

CCOc1cc(C=O)ccc1OCc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 1/20 0.75
▸ KDM4E B2RXH2 2/20 0.70
▸ LMNA P02545 1/20 0.70
▸ ALDH1A1 P00352 8/20 0.64
▸ MAPT P10636 3/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ NTSR1 P30989 2/20 0.60
▸ GAA P10253 2/20 0.60
▸ HPGD P15428 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.60
▸ HTT P42858 2/20 0.60
▸ PKM P14618 1/20 0.60
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HTR1A P08908 1/20 0.55
▸ ADRA1D P25100 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ADRA1B P35368 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ATM Q13315 1/20 0.54

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
SCHEMBL662145 1.00 TACR2 (0.75) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL16052363 0.93 TACR2 (0.67) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL584489 0.92 TACR2 (0.62) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL29446267 0.92 TACR2 (0.62) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL4621810 0.89 TACR2 (0.60) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL11734711 0.89 TACR2 (0.60) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL15952102 0.88 TACR2 (0.60) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL5215156 0.87 TACR2 (0.61) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL29377794 0.87 ALDH1A1 (0.65) TACR2KDM4ELMNAALDH1A1MAPT
SCHEMBL752160 0.87 ALDH1A1 (0.65) TACR2KDM4ELMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021027792-A1 VMAT2 INHIBITOR AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东绿叶制药有限公司 2021-02-18 — — WO disclosed
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 — — EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 — — US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 — — US disclosed
EP-2970331-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS Takeda Pharmaceutical Company Limited (JP) 2016-01-20 — — EP disclosed
WO-2014142363-A1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-18 — — WO disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2014-05-01 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED 2013-01-24 — — US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 — — US disclosed
US-6143779-A Benzofuranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-11-07 — — US disclosed
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 — — US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 — — WO disclosed
CN-1224714-A N- (4-amidinophenyl) glycinamide derivatives HOFFMANN LA ROCHE (CH) 1999-08-04 — — CN disclosed
US-5932601-A USEFUL FOR LOWERING BLOOD SUGAR AND LIPID IN BLOOD TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-03 — — US disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 — — EP disclosed
EP-0902022-A1 NOVEL BENZOFURANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-03-17 — — EP disclosed
WO-1997000249-A1 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-03 — — WO disclosed
EP-0710659-A1 Oxazolidinedione derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-05-08 — — 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 (4 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 TACR2 40/4885KDM4E 3566/4885LMNA 4589/4885
US-20130023541-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, KCNB2, SCNN1B TACR2 558/4885KDM4E 3172/4885LMNA 611/4885
US-20140121213-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS KCNB1, SCNN1B, TRPV1 TACR2 342/4885KDM4E 3267/4885LMNA 816/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS TACR2 1029/4885KDM4E 1998/4885LMNA 2613/4885

“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.