SCHEMBL2581962

SCHEMBL2581962

N#Cc1cccc(-n2cc(C(F)F)nn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.59
GRM5 P41594 6/20 0.55
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
USP30 Q70CQ3 2/20 0.47
KDM1A O60341 1/20 0.43
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
RXRA P19793 3/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2B Q13224 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39

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
SCHEMBL23603985 0.86 NOTUM (0.59) NOTUMGRM5CA12CA1CA2
SCHEMBL2583097 0.82 NOTUM (0.55) NOTUMKDM1AKDM4E
SCHEMBL2583096 0.78 NOTUM (0.56) NOTUMRXRAGRIN1GRIN2B
SCHEMBL12156459 0.76 P2RX7 (0.50) NOTUMDRD2DRD3RXRAGRIN1
SCHEMBL2391955 0.75 GRM5 (0.67) NOTUMGRM5CA12CA1CA2
SCHEMBL23451475 0.74 NOTUM (1.00) NOTUMGRM5KDM1AKDM4EMAPT
SCHEMBL70086 0.73 NOTUM (0.61) NOTUMGRM5CA12CA1CA2
SCHEMBL5201985 0.71 GRM5 (1.00) NOTUMGRM5CA12CA1CA2
SCHEMBL2398328 0.69 GRM5 (0.62) NOTUMGRM5CA12CA1CA2
SCHEMBL21338827 0.69 USP30 (0.58) NOTUMGRM5CA12CA1CA2

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 NOTUM 1619/4885GRM5 3245/4885CA12 2904/4885
US-20090054501-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 NOTUM 1774/4885GRM5 1211/4885CA12 3676/4885
US-20110269803-A1 AZOLE COMPOUNDS USED AS TUBERCULOSTATIC AND LEISHMANICIDE AGENTS CBR3, NOX3, NR2C2 NOTUM 1936/4885GRM5 1768/4885CA12 3483/4885

“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.