Sugi Predict

Sugi Predict / Compounds / SCHEMBL350138

SCHEMBL350138

SCHEMBL350138

O=[C]NCc1nc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.61
▸ POLB P06746 2/20 0.54
▸ DDAH1 O94760 1/20 0.54
▸ GAA P10253 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ BCHE P06276 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CHRM1 P11229 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ PDE10A Q9Y233 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ KLK1 P06870 1/20 0.48
▸ KLK5 Q9Y337 1/20 0.48

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
SCHEMBL6006556 0.83 PKM (0.61) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL4716247 0.81 POLB (0.66) POLBSMN1; SMN2RAB9AKDM4ECHRM1
SCHEMBL711507 0.80 PKM (0.71) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL31734838 0.80 PKM (0.71) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL21941037 0.79 PKM (0.69) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL23468380 0.77 PKM (0.67) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL336412 0.77 PKM (0.96) PKMPOLBDDAH1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL710491 0.77 PKM (0.72) PKMPOLBDDAH1GAASMN1; SMN2
Hydrochloric Acid SCHEMBL710492 0.77 PKM (0.67) PKMPOLBDDAH1GAASMN1; SMN2
SCHEMBL31298007 0.77 PKM (0.96) PKMPOLBDDAH1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2275433-B1 METASTIN DERIVATIVE AND USE THEREOF UNIV KYOTO (JP) 2017-06-07 — — EP disclosed
US-8778871-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 — — US disclosed
US-8765909-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-01 — — US disclosed
US-8592379-B2 Metastin derivative and use thereof KYOTO UNIVERSITY (JP) 2013-11-26 — — US disclosed
US-8361968-B2 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-29 — — US disclosed
US-20120015868-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-19 — — US disclosed
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-22 — — US disclosed
EP-2379053-A1 PROPHYLACTIC/THERAPEUTIC AGENT FOR CANCER Takeda Pharmaceutical Company Limited (JP) 2011-10-26 — — EP disclosed
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-10 — — US disclosed
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF KYOTO UNIVERSITY (JP) 2011-02-17 — — US disclosed
US-20060241051-A1 Metastin derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 — — US disclosed
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 — — EP disclosed
WO-2006001499-A2 METASTIN DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — WO disclosed
EP-1577323-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-09-21 — — 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-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
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 — — EP disclosed
EP-1140864-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 — — EP disclosed
WO-2000035887-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARM CO (US) 2000-06-22 — — WO 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 (6 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-20120015868-A1 Metastin derivatives and use thereof MET, HGFAC, HGF PKM 3503/4885POLB 3751/4885DDAH1 3149/4885
US-20110312898-A1 PROPHYLACTIC / THERAPEUTIC AGENT FOR CANCER KLK3, SHBG, SERPINA3 PKM 4454/4885POLB 3481/4885DDAH1 2248/4885
US-20110059888-A1 METASTIN DERIVATIVES AND USE THEREOF SHBG, GNRHR, INHA PKM 3905/4885POLB 4321/4885DDAH1 2223/4885
US-20060241051-A1 Metastin derivatives and use thereof MET, HGFAC, HGF PKM 3503/4885POLB 3751/4885DDAH1 3149/4885
US-20110039786-A1 METASTIN DERIVATIVE AND USE THEREOF MEN1, HGF, STMN1 PKM 4072/4885POLB 3951/4885DDAH1 4062/4885
US-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 PKM 2376/4885POLB 4662/4885DDAH1 2819/4885

“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.