SCHEMBL2579741

SCHEMBL2579741

COc1ccc(-n2cc(C(F)F)nn2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.47
GRIN1 Q05586 17/20 0.47
GRIN2B Q13224 17/20 0.47
MIF P14174 1/20 0.45
NOTUM Q6P988 1/20 0.43
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL24908499 0.87 MIF (0.49) RXRAGRIN1GRIN2BMIFNOTUM
SCHEMBL2580516 0.80 P2RX7 (0.55) RXRAGRIN1GRIN2BMIF
SCHEMBL2578083 0.77 ALDH1A1 (0.52)
SCHEMBL2583134 0.75 DRD2 (0.46) TRPV1
SCHEMBL12497434 0.75 CYP1B1 (0.55) MIF
SCHEMBL2577899 0.74 NOTUM (0.51) RXRAGRIN1GRIN2BNOTUM
SCHEMBL15542645 0.73 FLT3 (0.47) RXRAGRIN1GRIN2BMIFNOTUM
SCHEMBL25043786 0.73 RXRA (0.38) RXRAGRIN1GRIN2BNOTUM
SCHEMBL19329983 0.72 NOTUM (0.61) NOTUM
SCHEMBL2582033 0.71 CA1 (0.39) RXRAGRIN1GRIN2BNOTUMTRPV1

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 11 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-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 RXRA 3416/4885GRIN1 4595/4885GRIN2B 4575/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 RXRA 407/4885GRIN1 3164/4885GRIN2B 2622/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 RXRA 520/4885GRIN1 3587/4885GRIN2B 2778/4885

“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.