SCHEMBL2587519

SCHEMBL2587519

O=[N+]([O-])c1ccc(-n2cc(C(F)F)nn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 2/20 0.41
PTGS2 P35354 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
AMY1A P0DUB6 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SIRT6 Q8N6T7 2/20 0.40
SCN2A Q99250 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL17978569 0.82 HTT (0.46) HTTKEAP1NFE2L2MAPTPTGS2
SCHEMBL17978473 0.80 DDX3X (0.52) HTTKEAP1NFE2L2MAPTPTGS2
SCHEMBL17978521 0.79 MAPT (0.44) HTTKEAP1NFE2L2POLBMAPT
SCHEMBL25043786 0.77 RXRA (0.38)
SCHEMBL15542645 0.77 FLT3 (0.47) PTGS2
SCHEMBL3752886 0.76 HTT (0.47) HTTKEAP1NFE2L2MAPTPTGS2
SCHEMBL27340987 0.76 HTT (0.59) HTTKEAP1NFE2L2MAPTPTGS2
SCHEMBL17978576 0.76 PTGS2 (0.52) HTTKEAP1NFE2L2POLBMAPT
SCHEMBL2577567 0.76 KDM4E (0.51) MAPTSMN1; SMN2
SCHEMBL2577899 0.76 NOTUM (0.51) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ - FIOCRUZ (BR) 2011-11-03 US claimed
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS BOECHAT NUBIA 2009-02-26 US claimed
EP-1976832-A2 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS Fundacao Oswaldo Cruz - Fiocruz (BR) 2008-10-08 EP claimed
WO-2007019660-A2 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS Fundação Oswaldo Cruz - FIOCRUZ (BR) 2007-02-22 WO claimed
US-8796316-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2014-08-05 US disclosed
US-8796316-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2014-08-05 US disclosed
US-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ (BR) 2013-10-17 US disclosed
US-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ (BR) 2013-10-17 US disclosed
US-8436027-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2013-05-07 US disclosed
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ - FIOCRUZ (BR) 2011-11-03 US disclosed
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ - FIOCRUZ (BR) 2011-11-03 US disclosed
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS BOECHAT NUBIA 2009-02-26 US disclosed
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS BOECHAT NUBIA 2009-02-26 US disclosed
EP-1976832-A2 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS Fundacao Oswaldo Cruz - Fiocruz (BR) 2008-10-08 EP disclosed
WO-2007019660-A2 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS Fundação Oswaldo Cruz - FIOCRUZ (BR) 2007-02-22 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 (3 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-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CYP51A1, IPO5, TBC1D5 HTT 4253/4885KEAP1 1251/4885NFE2L2 3930/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 HTT 3515/4885KEAP1 3568/4885NFE2L2 1415/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 HTT 3436/4885KEAP1 3481/4885NFE2L2 1351/4885

“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.