SCHEMBL3319980

SCHEMBL3319980

O=C(NCc1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
CYP17A1 P05093 2/20 0.56
CYP19A1 P11511 2/20 0.56
HSD11B1 P28845 2/20 0.56
ALDH1A1 P00352 4/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
PTPN1 P18031 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 2/20 0.50
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
EPHX2 P34913 1/20 0.48
KDM1A O60341 2/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48

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
SCHEMBL27400280 0.81 HPGD (0.72) HPGDCYP17A1CYP19A1HSD11B1ALDH1A1
SCHEMBL8298976 0.80 HPGD (0.70) HPGDCYP17A1CYP19A1HSD11B1ALDH1A1
SCHEMBL3455848 0.79 HPGD (1.00) HPGDCYP17A1CYP19A1HSD11B1ALDH1A1
SCHEMBL14503265 0.79 KMT2A (0.62) ALDH1A1KMT2AMEN1L3MBTL1POLB
SCHEMBL14002183 0.77 HPGD (0.65) HPGDCYP17A1CYP19A1HSD11B1ALDH1A1
SCHEMBL4582840 0.76 PTPN1 (0.63) HPGDALDH1A1KMT2AMEN1PTPN1
SCHEMBL1548543 0.75 HPGD (0.67) HPGDCYP17A1CYP19A1HSD11B1ALDH1A1
SCHEMBL29384194 0.75 HPGD (0.67) HPGDCYP17A1CYP19A1HSD11B1ALDH1A1
SCHEMBL30791550 0.74 PTPN1 (0.61) ALDH1A1KMT2AMEN1PTPN1POLB
SCHEMBL4808309 0.74 PTPN1 (0.61) CYP19A1ALDH1A1KMT2AMEN1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HPGD 330/4885CYP17A1 15/4885CYP19A1 50/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HPGD 3581/4885CYP17A1 91/4885CYP19A1 97/4885

“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.