SCHEMBL544674

SCHEMBL544674

CCOC(=O)C1([N+](=O)[O-])CC1c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
GAA P10253 1/20 0.52
CACNA1F O60840 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.40
OPRM1 P35372 3/20 0.40
DHFR P00374 1/20 0.40
AURKA O14965 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
SLC22A1 O15245 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL544652 0.89 GAA (0.43) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S
SCHEMBL10083061 0.87 PPARG (0.43) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S
SCHEMBL545242 0.87 CACNA1F (0.44) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S
SCHEMBL544774 0.87 GAA (0.42) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S
SCHEMBL544761 0.87 OPRK1 (0.45) SMN1; SMN2GAACACNA1DMAPTOPRM1
SCHEMBL544636 0.87 GAA (0.42) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S
SCHEMBL544647 0.86 CACNA1C (0.57) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL544728 0.85 SMN1; SMN2 (0.40) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S
SCHEMBL545342 0.85 KMT2A (0.43) SMN1; SMN2GAAALDH1A1MAPTLMNA
SCHEMBL544900 0.84 CA1 (0.42) SMN1; SMN2GAACACNA1FCACNA1DCACNA1S

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896712-B Diamide compound containing cyclic amino acid 华东理工大学 2024-04-09 CN disclosed
CN-113896712-A Diamide compound containing cyclic amino acid 华东理工大学 2022-01-07 CN disclosed
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed
CN-105283177-B Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A 欧洲肿瘤研究所有限责任公司 2020-07-24 CN disclosed
US-20180179177-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-06-28 US disclosed
US-20180179177-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2018-06-28 US disclosed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US disclosed
CN-105283177-A Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A ISTITUTO EUROP DI ONCOLOGIA S R L 2016-01-27 CN disclosed
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-11-05 US disclosed
EP-2928457-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A Istituto Europeo di Oncologia S.r.l. (IT) 2015-10-14 EP disclosed
WO-2015144813-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2015-10-01 WO disclosed
WO-2014086790-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2014-06-12 WO disclosed
EP-2740474-A1 Cyclopropylamine derivatives useful as inhibitors of histone demethylases kdm1a Instituto Europeo di Oncologia S.r.l. (IT) 2014-06-11 EP disclosed
US-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-8110699-B2 Cobalt-catalyzed asymmetric cyclopropanation of alkenes with α-nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-07 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 US disclosed
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates UNIVERSITY OF SOUTH FLORIDA (US) 2010-04-01 US 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 (3 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-20180179177-A1 N-ACYLIMINO HETEROCYCLIC COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS C1S, H1-3, ATL3 SMN1; SMN2 2088/4885GAA 4804/4885CACNA1F 1860/4885
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A KDM1A, KDM1B, KDM2A SMN1; SMN2 2921/4885GAA 1837/4885CACNA1F 3410/4885
US-20100081838-A1 Cobalt-Catalyzed Asymmetric Cyclopropanation of Alkenes with alpha-Nitrodiazoacetates PPOX, IDH3A, HMOX2 SMN1; SMN2 3103/4885GAA 3727/4885CACNA1F 1437/4885

“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.