SCHEMBL3232949

SCHEMBL3232949

O=C(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.90
NR4A1 P22736 1/20 0.79
NR4A2 P43354 1/20 0.79
NR4A3 Q92570 1/20 0.79
SMN1; SMN2 Q16637 3/20 0.76
ALDH1A1 P00352 2/20 0.76
HTT P42858 2/20 0.76
L3MBTL1 Q9Y468 1/20 0.76
MAOB P27338 1/20 0.74
PARP10 Q53GL7 1/20 0.74
RAB9A P51151 2/20 0.71
GAA P10253 2/20 0.71
MAPT P10636 1/20 0.71
PLA2G4B P0C869 1/20 0.68
PPARG P37231 2/20 0.66
LMNA P02545 1/20 0.66
CYP1A2 P05177 1/20 0.66
PTGS1 P23219 1/20 0.66
SLC6A2 P23975 1/20 0.66
CYP2C19 P33261 1/20 0.66

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
SCHEMBL402300 0.98 SRD5A2 (0.87) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL3415530 0.95 SRD5A2 (0.81) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL8503299 0.92 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL8067849 0.92 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL10784972 0.92 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL6654887 0.92 SRD5A2 (0.77) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL7539817 0.90 SRD5A2 (0.73) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL18290956 0.89 SRD5A2 (0.72) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL6830467 0.89 NR4A2 (1.00) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2
SCHEMBL228477 0.89 NR4A2 (1.00) SRD5A2NR4A1NR4A2NR4A3SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
CN-102300860-B Pyrazine Compounds As Phosphodiesterase 10 Inhibitors AMGEN INC 2014-08-27 CN disclosed
US-8785436-B2 1,3-oxazines as BACE 1 and/or BACE2 inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-07-22 US disclosed
EP-2709992-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2014-03-26 EP disclosed
CN-103534243-A 1, 3-oxazines as BACE1 and/or BACE2 inhibitors HOFFMANN LA ROCHE 2014-01-22 CN disclosed
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 US disclosed
WO-2012156284-A1 1,3-OXAZINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-11-22 WO disclosed
CN-102300860-A Pyrazine compounds as phosphodiesterase 10 inhibitors 2011-12-28 CN disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 US disclosed
US-20090111862-A1 Compound RICHTER GEDEON NYRT. (HU) 2009-04-30 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US disclosed
US-7361677-B2 Polycyclic sulphamate compounds suitable for use as inhibitors of aromatase and/or sulphatase STERIX, LTD. (GB) 2008-04-22 US disclosed
US-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STERIX LTD. 2006-10-26 US disclosed
US-7098343-B2 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STERIX, LIMITED (GB) 2006-08-29 US disclosed
US-20060142360-A1 Compound RICHTER GEDEON NYRT. (HU) 2006-06-29 US disclosed
EP-1446388-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS Sterix Limited (GB) 2004-08-18 EP disclosed
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor RICHTER GEDEON NYRT. (HU) 2004-01-29 US disclosed
WO-2003045925-A1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LIMITED (GB) 2003-06-05 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 (5 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-20090111862-A1 Compound QPCT, SQOR, SDHA SRD5A2 377/4885NR4A1 2090/4885NR4A2 3996/4885
US-20060241173-A1 A sulfamate compound, especially a sulfamylated flavone, isoflavone or flavanone, that is an inhibitor of both estrone sulfatase activity and aromatase activity for treating breast and endometrial cancers STS, SULT1E1, CYP19A1 SRD5A2 40/4885NR4A1 2253/4885NR4A2 2114/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA SRD5A2 377/4885NR4A1 2090/4885NR4A2 3996/4885
US-20040019016-A1 Polycyclic compounds containing a central trivalent atom to which is attached either direct or indirectly via a linker a two or three ring system and a ring system contining sulphamate group as substituent; steroid sulfatase inhibitor STS, CYP21A2, SULT1E1 SRD5A2 6/4885NR4A1 1636/4885NR4A2 2370/4885
US-20120295900-A1 1,3-OXAZINES AS BACE 1 AND/OR BACE2 INHIBITORS BACE2, BACE1, PSEN1 SRD5A2 889/4885NR4A1 2171/4885NR4A2 781/4885

“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.