SCHEMBL1129149

SCHEMBL1129149

O=[N+]([O-])c1ccccc1Oc1ccc(Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 1/20 0.56
LTA4H P09960 1/20 0.53
PTGS1 P23219 1/20 0.53
PTGS2 P35354 1/20 0.53
MAPT P10636 3/20 0.53
ALDH1A1 P00352 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
RECQL P46063 1/20 0.51
GBA1 P04062 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
HSPB1 P04792 1/20 0.49
KMT2A Q03164 3/20 0.48
HTT P42858 1/20 0.47
ESR2 Q92731 1/20 0.46

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
SCHEMBL238962 0.85 L3MBTL1 (0.62) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL1283885 0.84 HSPB1 (0.67) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL6750951 0.84 L3MBTL1 (0.57) L3MBTL1HPGDLTA4HPTGS1PTGS2
2,4'-Oxybis(Nitrobenzene) SCHEMBL9474586 0.84 HSPB1 (0.62) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL7021137 0.83 L3MBTL1 (0.56) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL10944795 0.83 L3MBTL1 (0.56) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL8695351 0.83 L3MBTL1 (0.60) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL2649297 0.83 L3MBTL1 (0.70) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL641831 0.83 HPGD (0.65) L3MBTL1HPGDLTA4HPTGS1PTGS2
SCHEMBL7123876 0.83 L3MBTL1 (0.56) L3MBTL1HPGDLTA4HPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA, INC. (US) 2012-04-12 US disclosed
EP-1482931-B1 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA INC (US) 2011-10-19 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
US-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2010-10-07 US disclosed
US-7737285-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-06-15 US disclosed
US-7714013-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2010-05-11 US disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 US disclosed
US-7361678-B2 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. (US) 2008-04-22 US disclosed
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-09-13 US disclosed
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents TRANSTECH PHARMA (US) 2007-01-25 US disclosed
EP-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-04-29 US disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 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 (6 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-20100256119-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B L3MBTL1 4864/4885HPGD 1006/4885LTA4H 2960/4885
US-20040082542-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B L3MBTL1 4864/4885HPGD 1111/4885LTA4H 2743/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 L3MBTL1 4613/4885HPGD 1283/4885LTA4H 4152/4885
US-20070021386-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B L3MBTL1 4861/4885HPGD 1121/4885LTA4H 2586/4885
US-20120088778-A1 AZOLE DERIVATIVES AND FUSED BICYCLIC AZOLE DERIVATIVES AS THERAPEUTIC AGENTS AGER, S100A4, S100B L3MBTL1 4861/4885HPGD 1121/4885LTA4H 2586/4885
US-20070213347-A1 Azole derivatives and fused bicyclic azole derivatives as therapeutic agents AGER, S100A4, S100B L3MBTL1 4861/4885HPGD 1121/4885LTA4H 2586/4885

“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.