SCHEMBL2582983

SCHEMBL2582983

FC(F)c1cn(-c2cc(Cl)cc(Cl)c2)nn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.51
STS P08842 1/20 0.40
GRIN1 Q05586 15/20 0.38
GRIN2B Q13224 15/20 0.38
RXRA P19793 14/20 0.38

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
SCHEMBL2583096 0.83 NOTUM (0.56) NOTUMSTSGRIN1GRIN2BRXRA
SCHEMBL2577567 0.82 KDM4E (0.51) NOTUMGRIN1GRIN2BRXRA
SCHEMBL12156459 0.74 P2RX7 (0.50) NOTUMGRIN1GRIN2BRXRA
SCHEMBL25043786 0.73 RXRA (0.38) NOTUMGRIN1GRIN2BRXRA
SCHEMBL15542645 0.73 FLT3 (0.47) NOTUMGRIN1GRIN2BRXRA
SCHEMBL2582033 0.71 CA1 (0.39) NOTUMGRIN1GRIN2BRXRA
SCHEMBL2577899 0.71 NOTUM (0.51) NOTUMGRIN1GRIN2BRXRA
SCHEMBL16983100 0.71 RXRA (0.42) NOTUMGRIN1GRIN2BRXRA
SCHEMBL30702184 0.71 NOTUM (0.40) NOTUM
SCHEMBL2579741 0.68 RXRA (0.47) NOTUMGRIN1GRIN2BRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8796316-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2014-08-05 US claimed
US-20130274298-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS FUNDACAO OSWALDO CRUZ (BR) 2013-10-17 US claimed
US-8436027-B2 Azole compounds used as tuberculostatic and leishmanicide agents Fundacão Oswaldo Cruz—FIOCRUZ (BR) 2013-05-07 US claimed
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-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-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 NOTUM 1619/4885STS 484/4885GRIN1 4595/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 NOTUM 1774/4885STS 696/4885GRIN1 3164/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 NOTUM 1936/4885STS 741/4885GRIN1 3587/4885

“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.