SCHEMBL2827545

SCHEMBL2827545

CC(C)(C)C1=NNC(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.39
RECQL P46063 2/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AXL P30530 1/20 0.36
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 1/20 0.32
LOX P28300 1/20 0.32

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
SCHEMBL3186703 0.79 SMN1; SMN2 (0.38) GAARECQLKDM4ETHRBL3MBTL1
SCHEMBL21325014 0.77 KDM4E (0.36) GAARECQLKDM4ETHRBL3MBTL1
SCHEMBL19398113 0.73 AXL (0.34) GAARECQLAXLALDH1A1MAPT
SCHEMBL89524 0.67
SCHEMBL11217688 0.64
SCHEMBL1659954 0.62
SCHEMBL8911551 0.62
SCHEMBL16554341 0.62
SCHEMBL20095237 0.62
SCHEMBL1067276 0.60 SMN1; SMN2 (0.38) KDM4EL3MBTL1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210186958-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-06-24 US disclosed
US-10005740-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-06-26 US disclosed
US-20180118696-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-05-03 US disclosed
US-9783507-B2 Neprilysin inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-10-10 US disclosed
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer AMGEN INC. (US) 2017-05-25 US disclosed
US-20170137388-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-05-18 US disclosed
US-9637493-B2 Substituted pyrrolopyrimidines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-02 US disclosed
US-9603819-B2 Substituted aminobutyric derivatives as neprilysin inhibitors NOVARTIS AG (CH) 2017-03-28 US disclosed
US-9593110-B2 Neprilysin inhibitors Theravence Biopharma R&D IP, LLC (US) 2017-03-14 US disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY NOVARTIS AG (CH) 2012-05-17 US disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 EP disclosed
EP-0673246-A1 USE OF ALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1995-09-27 EP disclosed
WO-1994013290-A1 USE OF ALKYLTHIOPYRIDINES FOR CONTROLLING HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1994-06-23 WO disclosed
EP-0015601-B1 PHOTOGRAPHIC SILVER HALIDE MATERIALS COMPRISING LIGHT-ABSORBING DYES AGFA-GEVAERT N.V. (BE) 1983-05-11 EP disclosed
US-4288534-A Photographic silver halide materials containing light-absorbing dyes AGFA-GEVAERT, N.V. (BE) 1981-09-08 US disclosed
EP-0015601-A1 Photographic silver halide materials comprising light-absorbing dyes AGFA-GEVAERT N.V. (BE) 1980-09-17 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 (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-20210186958-A1 GLYCOSIDASE INHIBITORS ENGASE, GAA, GLA GAA 2/4885RECQL 530/4885KDM4E 1588/4885
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 GAA 1246/4885RECQL 4806/4885KDM4E 2755/4885
US-10005740-B2 Neprilysin inhibitors MME, REN, AGTR1 GAA 161/4885RECQL 1445/4885KDM4E 2253/4885
US-20120122844-A1 METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY REN, SERPINB1, MME GAA 427/4885RECQL 2265/4885KDM4E 3817/4885
US-20180118696-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 GAA 161/4885RECQL 1445/4885KDM4E 2253/4885
US-20170144971-A1 Piperidinone Derivatives as MDM2 Inhibitors for the Treatment of Cancer MDM2, TP53, CDKN1A GAA 1768/4885RECQL 718/4885KDM4E 734/4885
US-20170137388-A1 NEPRILYSIN INHIBITORS MME, REN, AGTR1 GAA 161/4885RECQL 1445/4885KDM4E 2253/4885

“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.