SCHEMBL4624537

SCHEMBL4624537

CCC(N)CCNC(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CTSS P25774 4/20 0.42
CTSK P43235 4/20 0.42
CA1 P00915 6/20 0.41
CA2 P00918 6/20 0.41
CA12 O43570 5/20 0.41
CA9 Q16790 5/20 0.41
EPHX1 P07099 1/20 0.41
MALT1 Q9UDY8 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SYK P43405 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
SCHEMBL5019056 0.91 MEN1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL6665327 0.90 MEN1 (0.64) MEN1GAAKMT2ATDP1MAOA
Hydrochloric Acid SCHEMBL6122869 0.89 MEN1 (0.62) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1748939 0.89 MEN1 (0.58) MEN1GAAKMT2ATDP1MAOA
SCHEMBL27207965 0.87 TDP1 (0.59) MEN1GAAKMT2ATDP1MAOA
SCHEMBL12954842 0.86 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19007632 0.86 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL3796422 0.86 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL19057327 0.86 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA
SCHEMBL1654726 0.85 MEN1 (0.54) MEN1GAAKMT2ATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022177307-A1 INTERFERON GENE STIMULATOR COMPOSITION COMPRISING BENZIMIDAZOLE DERIVATIVE AS ACTIVE INGREDIENT 한국화학연구원 2022-08-25 WO disclosed
US-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE 2017-07-13 US disclosed
US-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF THE SCRIPPS RESEARCH INSTITUTE 2017-07-13 US disclosed
US-9512106-B2 Smoothened modulators and methods of use thereof DUKE UNIVERSITY (US) 2016-12-06 US disclosed
WO-2016157074-A1 6-MORPHOLINYL-2-PYRAZOLYL-9H-PURINE DERIVATIVES AND THEIR USE AS PI3K INHIBITORS DAIICHI SANKYO COMPANY, LIMITED (JP) 2016-10-06 WO disclosed
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF UNIV DUKE (US) 2015-06-18 US disclosed
EP-2488521-B1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND (IE) 2013-12-18 EP disclosed
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-11-07 US disclosed
US-8497270-B2 Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2013-07-30 US disclosed
US-8426607-B2 Substituted amino-benzimidazoles, medicaments comprimising said compound, their use and their method of manufacture BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-04-23 US disclosed
EP-2487176-A1 Macrocyclic integrase inhibitors for use in the treatment of feline immunodeficiency virus Elanco Animal Health Ireland Limited (IE) 2012-08-15 EP disclosed
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS ELANCO ANIMAL HEALTH IRELAND LIMITED (US) 2012-07-05 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 US disclosed
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 WO disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 WO disclosed
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors SANOFI-AVENTIS (FR) 2008-10-30 US disclosed
EP-1904479-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS Sanofi-Aventis (FR) 2008-04-02 EP disclosed
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor SMITHKLINE BEECHAM CORPORATION 2007-11-08 US disclosed
WO-2007006926-A2 NOVEL 2,4-DIANILINOPYRIMIDINE DERIVATIVES, THE PREPARATION THEREOF, THEIR USE AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND, IN PARTICULAR, AS IKK INHIBITORS SANOFI-AVENTIS (FR) 2007-01-18 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 (7 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-20170196985-A1 SULFUR(VI) FLUORIDE COMPOUNDS AND METHODS FOR THE PREPARATION THEREOF CYP2F1, NAF1, CYP2S1 MEN1 320/4885GAA 1325/4885KMT2A 2082/4885
US-20130296330-A1 MACROCYCLIC INTEGRASE INHIBITORS FOR USE IN THE TREATMENT OF FELINE IMMUNODEFICIENCY VIRUS FIP1L1, PIM1, TYMP MEN1 4526/4885GAA 260/4885KMT2A 1131/4885
US-20120172367-A1 MACROCYCLIC INTEGRASE INHIBITORS CCNI, CCNY, CDK7 MEN1 3279/4885GAA 2567/4885KMT2A 465/4885
US-20150166509-A1 SMOOTHENED MODULATORS AND METHODS OF USE THEREOF SMO, SHH, GLI1 MEN1 1287/4885GAA 1305/4885KMT2A 2237/4885
US-20110288139-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRIMISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE PSEN1, AADAT, PSEN2 MEN1 1440/4885GAA 460/4885KMT2A 1092/4885
US-20080269170-A1 Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors NFKBIA, IKBKB, IKBKE MEN1 3980/4885GAA 2886/4885KMT2A 1759/4885
US-20070259965-A1 Acyclic 1,3-Diamine And Uses Therefor TRPV4, TRPC4, TRPV1 MEN1 1683/4885GAA 4570/4885KMT2A 3582/4885

“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.