SCHEMBL213790

SCHEMBL213790

Nc1cc(N2CCN(C(=O)O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
MAPT P10636 11/20 0.68
SIRT6 Q8N6T7 3/20 0.68
RECQL P46063 2/20 0.64
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
THRB P10828 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL213791 1.00 LMNA (0.69) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL16262847 0.89 LMNA (0.54) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL16262843 0.89 LMNA (0.54) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL5058364 0.88 MAPT (0.71) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL16262196 0.87 SIRT6 (0.54) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL16262194 0.87 SIRT6 (0.54) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL1842221 0.86 MAPT (0.67) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL2552086 0.84 MAPT (0.66) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL23293980 0.84 SIRT6 (0.54) LMNAMAPTSIRT6RECQLALDH1A1
SCHEMBL17958719 0.83 SMN1; SMN2 (0.54) LMNAMAPTSIRT6ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11548875-B2 Inhibitor compounds for male contraception UNIVERSITY OF WASHINGTON (US) 2023-01-10 US disclosed
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2021-10-28 US disclosed
WO-2020123855-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION UNIVERSITY OF WASHINGTON (US) 2020-06-18 WO disclosed
CN-102933557-B Radiation protection immunomodulator compounds and method 彼得·麦卡勒姆癌症研究所 2016-08-03 CN disclosed
CN-102933557-A Radioprotector compounds and methods PETER MACCALLUM CANCER INST 2013-02-13 CN disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-7718650-B2 Aryl sulfonamide compounds for treating obesity BIOVITRUM AB (SE) 2010-05-18 US disclosed
US-7566715-B2 Substituted sulfonamide compounds useful for the prophylaxis and treatment of conditions relating to obesity, type II diabetes and/or disorders of the central nervous system BIOVITRUM AB (SE) 2009-07-28 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
US-20080096873-A1 NEW COMPOUNDS BIOVITRUM AB, A SWEDEN CORPORATION 2008-04-24 US disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
US-7319097-B2 Treatment of type II diabetes with benzenesulfonamide substituted with an N-heterocycle: N-[2-amino-5-(1,4-diazepan-1-yl)phenyl]benzenesulfonamide, N-[4-amino-5-(piperazinyl)phenyl]benzenesulfonamide, 3-amino-4-(5-methyl-2,5-diaza-bicyclo[2.2.1]hept-2-yl)-N-phenyl-benzenesulfonamide hydrochloride BIOVITRUM AB (SE) 2008-01-15 US disclosed
US-7173035-B2 Arylsulfonamide compounds BIOVITRUM AB (SE) 2007-02-06 US disclosed
US-20060009446-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2006-01-12 US disclosed
US-20050288275-A1 New compounds BIOVITRUM AB, A SWEDEN CORPORATION 2005-12-29 US disclosed
US-6969710-B2 Compounds BIOVITRUM AB (SE) 2005-11-29 US disclosed
US-20030149020-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 US disclosed
US-20030149019-A1 New compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-07 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 (8 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-20030149020-A1 New compounds GPR119, SULT2A1, NAT1 LMNA 3478/4885MAPT 2577/4885SIRT6 757/4885
US-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 LMNA 4821/4885MAPT 2138/4885SIRT6 3316/4885
US-20210332030-A1 INHIBITOR COMPOUNDS FOR MALE CONTRACEPTION ALDH1A1, ALDH3A1, ALDH16A1 LMNA 1751/4885MAPT 4083/4885SIRT6 117/4885
US-20030149019-A1 New compounds GPR119, SULT2A1, NAT1 LMNA 3478/4885MAPT 2577/4885SIRT6 757/4885
US-11548875-B2 Inhibitor compounds for male contraception ALDH1A1, ALDH3A1, ALDH16A1 LMNA 1751/4885MAPT 4083/4885SIRT6 117/4885
US-20060009446-A1 New compounds GPR119, SULT2A1, STS LMNA 3475/4885MAPT 2697/4885SIRT6 678/4885
US-20080096873-A1 NEW COMPOUNDS GPR119, SULT2A1, STS LMNA 3475/4885MAPT 2697/4885SIRT6 678/4885
US-20050288275-A1 New compounds GPR119, SULT2A1, STS LMNA 3475/4885MAPT 2697/4885SIRT6 678/4885

“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.