SCHEMBL4051318

SCHEMBL4051318

Fc1cccc(-c2cc3[nH][c]nn3n2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.42
KDM5B Q9UGL1 1/20 0.39
MAPT P10636 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESR2 Q92731 1/20 0.37
PIM1 P11309 2/20 0.36
CDC7 O00311 1/20 0.36
GSK3B P49841 1/20 0.36
HIPK2 Q9H2X6 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ALOX15 P16050 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NFKB1 P19838 2/20 0.36
NFKB2 Q00653 2/20 0.36
RELA Q04206 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL4050061 0.84 PARP1 (0.46) IDO1KDM5BMAPTMEN1KMT2A
SCHEMBL4045189 0.83 MEN1 (0.39) KDM5BMAPTMEN1KMT2APIM1
SCHEMBL4051287 0.83 PARP1 (0.40) MAPTMEN1KMT2AKDM4EALOX15
SCHEMBL4044795 0.82 HSD17B1 (0.44) ESR2FYN
SCHEMBL4045655 0.78 JAK2 (0.40) KDM5BMAPTCLK4
SCHEMBL4052401 0.77 ALPL (0.35) TP53F2RL3KMOGRM5
SCHEMBL4043421 0.74 PARP1 (0.41) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL4051538 0.73 RAD51 (0.39) MAPTNISCHKDM4EGSK3BSMN1; SMN2
SCHEMBL4047366 0.69 CYP1A2 (0.39) F2RL3KMO
SCHEMBL9269460 0.65 ESR2 (0.47) IDO1MAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589096-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-15 US disclosed
EP-1566384-B1 NOVEL AZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-06-17 EP disclosed
US-20080188507-A1 Novel azole derivatives MSD K.K. (JP) 2008-08-07 US disclosed
US-7365079-B2 Azole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-29 US disclosed
US-20060111380-A1 Novel azole derivatives MSD K.K. (JP) 2006-05-25 US disclosed
EP-1566384-A1 NOVEL AZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-24 EP 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 (2 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-20080188507-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 183/4885KDM5B 911/4885MAPT 1533/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R IDO1 263/4885KDM5B 865/4885MAPT 1475/4885

“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.