SCHEMBL2595940

SCHEMBL2595940

C=CCCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
KEAP1 Q14145 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.46
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
MAPT P10636 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
Hydrochloric Acid SCHEMBL11687169 0.98 GLA (0.45) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
Bromide SCHEMBL28242666 0.98 KDM4E (0.45) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
Acetic Acid SCHEMBL28231316 0.87 GLA (0.50) KDM4ESMN1; SMN2ALDH1A1RAB9AGLA
SCHEMBL170765 0.86 KEAP1 (0.54) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL5254606 0.85 KEAP1 (0.52) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL11782938 0.83 SMN1; SMN2 (0.50) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL28720836 0.83 SMN1; SMN2 (0.50) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL9433442 0.83 SMN1; SMN2 (0.50) KDM4EKEAP1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL12719804 0.82
SCHEMBL646005 0.80 KDM4E (0.50) KDM4EKEAP1SMN1; SMN2ALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof RIKEN (JP) 2022-08-16 US disclosed
CN-110023315-B Novel compound or pharmacologically acceptable salt thereof 国立研究开发法人理化学研究所 2021-11-12 CN disclosed
EP-3480198-B1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2021-05-05 EP disclosed
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2020-06-04 US disclosed
EP-3480198-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF RIKEN (JP) 2019-05-08 EP disclosed
US-9932355-B2 2,5,6,7-tetrasubstituted thiazolo[4,5-b]pyridine derivatives and use thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-04-03 US disclosed
US-20150307516-A1 2,5,6,7-tetrasubstituted Thiazolo[4,5-b]pyridine Derivatives and Use Thereof KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2015-10-29 US disclosed
EP-2386546-B1 NOVEL PYRAZOLE-3-CARBOXAMIDE DERIVATE HAVING 5-HT2B RECEPTOR ANTAGONIST ACTIVITY RAQUALIA PHARMA INC (JP) 2015-08-19 EP disclosed
WO-2015072988-A1 MESITYLENE SULFONATE COMPOSITIONS AND METHODS THEREOF THE CLOROX COMPANY (US) 2015-05-21 WO disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
WO-2007127135-A2 ANTIBIOTIC COMPOUNDS MERCK & CO., INC. (US) 2007-11-08 WO disclosed
US-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses IPSEN PHARMA S.A.S. (FR) 2007-10-18 US disclosed
US-7238695-B2 Imidazolyl derivatives SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, SAS (FR) 2007-07-03 US disclosed
US-7220765-B2 Derivatives of 2-arylimino-2,3-dihydrothiazoles, their preparation processes and their therapeutic use SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (SCRAS) (FR) 2007-05-22 US disclosed
US-7199145-B2 Derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D' 'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S) (FR) 2007-04-03 US disclosed
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2007-02-08 US disclosed
US-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments SCRAS 2007-01-25 US disclosed
US-4666461-A Fuel treatment compositions THE LUBRIZOL CORPORATION (US) 1987-05-19 US disclosed
EP-0085510-B1 COMPOSITIONS FOR USE IN ALCOHOL AND ALCOHOL CONTAINING FUELS The Lubrizol Corporation (US) 1986-04-16 EP disclosed
EP-0085510-A2 Compositions for use in alcohol and alcohol containing fuels The Lubrizol Corporation (US) 1983-08-10 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 (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-20070021420-A1 New derivatives of hydantoins, thiohydantoins, pyrimidinediones and thioxopyrimidinones, their preparation processes and their use as medicaments ADCYAP1R1, HPRT1, ALPI KDM4E 4419/4885KEAP1 1368/4885SMN1; SMN2 4788/4885
US-11414429-B2 Compound or pharmaceutically acceptable salt thereof DPP8, DPP7, AZI2 KDM4E 243/4885KEAP1 2841/4885SMN1; SMN2 928/4885
US-20200172554-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DPP8, DPP7, AZI2 KDM4E 277/4885KEAP1 2880/4885SMN1; SMN2 1033/4885
US-20070244186-A1 4, 7-Dioxobenzothiazole-2-Carboxamide Derivatives, Their Preparation and Their Therapeutic Uses CDC25C, CDC25A, CDC25B KDM4E 723/4885KEAP1 1381/4885SMN1; SMN2 4692/4885
US-20070032653-A1 N-{1-(4-(3-bromophenyl)-1H-imidazol-2-yl)-5-methylhexyl}-N-cyclohexylamine; agonists or antagonists of somatostatin receptors; acromegaly, restenosis, Crohn's disease, systemic sclerosis, external and internal pancreatic pseudocysts and ascites, nesidoblastosis, hyperinsulinism, gastrinoma, etc. GHSR, IGF1R, GIPR KDM4E 4639/4885KEAP1 4198/4885SMN1; SMN2 1272/4885
US-20150307516-A1 2,5,6,7-tetrasubstituted Thiazolo[4,5-b]pyridine Derivatives and Use Thereof HMGB1, TLR4, HMGB2 KDM4E 1430/4885KEAP1 476/4885SMN1; SMN2 1843/4885

“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.