SCHEMBL950330

SCHEMBL950330

C[C@@]12CCC[C@H]1[C@@H]1CCC3NC(=O)C=C[C@]3(C)[C@H]1CC2

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 9/20 0.53
SRD5A2 P31213 9/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ABCC4 O15439 1/20 0.53
ABCB11 O95342 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
HSD3B1 P14060 1/20 0.53
NFKB1 P19838 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53

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
SCHEMBL950331 1.00 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790657 1.00 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
Imidazole SCHEMBL9187249 0.88 SRD5A2 (0.45) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL6673554 0.85 SRD5A1 (0.42) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8059923 0.81 SRD5A1 (0.48) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8135268 0.81 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8135264 0.81 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4263946 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL4263941 0.80 SRD5A1 (0.53) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL7901226 0.79 SRD5A1 (0.55) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 US claimed
EP-1523490-B1 METHOD FOR INTRODUCING A 1,2 DOUBLE BOND INTO 3-OXO-4-AZASTEROID COMPOUNDS SIEGFRIED GENERICS INT AG (CH) 2009-12-23 EP claimed
US-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2006-05-11 US claimed
EP-1335930-B1 Process for the preparation of 3-oxo-4-azasteroids GLAXO GROUP LTD (GB) 2004-10-13 EP claimed
US-6794508-B2 Process SMITHKLINE BEECHAM CORPORATION 2004-09-21 US claimed
US-20040049042-A1 Process SMITHKLINE BEECHAM CORPORATION 2004-03-11 US claimed
EP-1335930-A2 PROCESS GLAXO GROUP LIMITED (GB) 2003-08-20 EP claimed
WO-2002046207-A2 PROCESS GLAXO GROUP LIMITED (GB) 2002-06-13 WO claimed
WO-2013001322-A1 PROCESS FOR THE SYNTHESIS OF (5α,17β)-N-[(2,5-BIS(TRIFLUOROMETHYL)-PHENYL]-3-OXO-4-AZA-5-ANDROST-1-ENE-17-CARBOXAMIDE RICHTER GEDEON NYRT. (HU) 2013-01-03 WO disclosed
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 US disclosed
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 US disclosed
CN-1319985-C Method for introducing a 1,2 double bond into 3-oxo-4-azasteroid compounds SIEGFRIED GENERICS INT AG (CH) 2007-06-06 CN disclosed
US-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2006-05-11 US disclosed
US-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2006-05-11 US disclosed
WO-2004007523-A1 METHOD FOR INTRODUCING A 1,2 DOUBLE BOND INTO 3-OXO-4-AZASTEROID COMPOUNDS SIEGFRIED GENERICS INTERNATIONAL AG (CH) 2004-01-22 WO disclosed
EP-1335930-A2 PROCESS GLAXO GROUP LIMITED (GB) 2003-08-20 EP disclosed
WO-2002046207-A2 PROCESS GLAXO GROUP LIMITED (GB) 2002-06-13 WO disclosed
US-5494914-A USEFUL FOR TREATMENT OF DISEASES WHOSE PROGRESS IS AIDED BY ACTIVATION OF ANDROGEN RECEPTORS ENDORECHERCHE (CA) 1996-02-27 US disclosed
EP-0641211-A1 INHIBITORS OF TESTOSTERONE 5$g(a)-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1995-03-08 EP disclosed
WO-1993023053-A1 INHIBITORS OF TESTOSTERONE 5α-REDUCTASE ACTIVITY ENDORECHERCHE INC. (CA) 1993-11-25 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 (2 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-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds NR3C2, NR5A1, CYP11B1 SRD5A1 14/4885SRD5A2 7/4885LMNA 1712/4885
US-20040049042-A1 Process SRD5A2, SRD5A1, HSD3B1 SRD5A1 2/4885SRD5A2 1/4885LMNA 4692/4885

“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.