SCHEMBL2582033

SCHEMBL2582033

FC(F)c1cn(-c2ccc(Br)cc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
RXRA P19793 6/20 0.38
GRIN1 Q05586 6/20 0.38
GRIN2B Q13224 6/20 0.38
PTGS2 P35354 5/20 0.36
TRPV1 Q8NER1 1/20 0.36
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL15542645 0.84 FLT3 (0.47) CA1CA2CA4CA9RXRA
SCHEMBL25043786 0.84 RXRA (0.38) RXRAGRIN1GRIN2BNOTUM
SCHEMBL2577567 0.82 KDM4E (0.51) RXRAGRIN1GRIN2BNOTUMKDM4E
SCHEMBL2577899 0.82 NOTUM (0.51) CA1CA2CA4CA9RXRA
SCHEMBL12156459 0.81 P2RX7 (0.50) RXRAGRIN1GRIN2BNOTUM
SCHEMBL20639910 0.79 NOTUM (0.39) CA1CA2CA4CA9RXRA
SCHEMBL2583097 0.78 NOTUM (0.55) PTGS2NOTUMKDM4E
SCHEMBL2580516 0.78 P2RX7 (0.55) CA1CA2CA4CA9RXRA
SCHEMBL2587519 0.76 HTT (0.44) PTGS2TRPV1MAPT
SCHEMBL20644450 0.76 IGF1R (0.39) CA1CA2CA4CA9TRPV1

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 9 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
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 CA1 3565/4885CA2 984/4885CA4 561/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 CA1 4708/4885CA2 2450/4885CA4 1892/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 CA1 4712/4885CA2 2416/4885CA4 1866/4885

“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.