SCHEMBL3237222

SCHEMBL3237222

BrCc1nc2cc(OCc3ccccc3)ccc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.53
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
L3MBTL1 Q9Y468 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ALOX5 P09917 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PDE10A Q9Y233 1/20 0.45
IP6K1 Q92551 1/20 0.43

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
SCHEMBL27594907 0.90 NPC1 (0.51) CYP3A4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL3242108 0.89 CYP3A4 (0.67) CYP3A4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL201697 0.82 NPC1 (0.48) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL3239060 0.81 PDE10A (0.67) CYP3A4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL2140172 0.81 CYP3A4 (0.56) CYP3A4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL27594904 0.79 CYP3A4 (0.64) CYP3A4NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL13303547 0.78 ATP4A (0.45) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL2137227 0.77 CYP3A4 (0.55) CYP3A4NPC1RAB9AMAPTALOX5
SCHEMBL13239665 0.77 KDM4E (0.43) NPC1RAB9AL3MBTL1SMN1; SMN2MAPK1
SCHEMBL30917348 0.77 NPC1 (0.50) CYP3A4NPC1RAB9ASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1446388-B1 1,2,4-TRIAZOLE DERIVATIVES CONTAINING A SULPHAMATE GROUP AS AROMATASE INHIBITORS STERIX LTD (GB) 2013-01-09 EP disclosed
US-7745472-B2 Compound STERIX LIMITED (GB) 2010-06-29 US 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 (4 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 CYP3A4 415/4885NPC1 3948/4885RAB9A 2278/4885
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 CYP3A4 139/4885NPC1 4685/4885RAB9A 4071/4885
US-20060142360-A1 Compound QPCT, SQOR, SDHA CYP3A4 415/4885NPC1 3948/4885RAB9A 2278/4885
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 CYP3A4 145/4885NPC1 4346/4885RAB9A 4512/4885

“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.