SCHEMBL4044116

SCHEMBL4044116

Fc1cccc(-c2n[c]n[nH]2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NOTUM Q6P988 2/20 0.41
IDO1 P14902 2/20 0.41
HPGDS O60760 2/20 0.41
PIN1 Q13526 1/20 0.41
NISCH Q9Y2I1 1/20 0.40
GRK6 P43250 1/20 0.40
TAAR1 Q96RJ0 3/20 0.39
ESR2 Q92731 1/20 0.39
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37

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
SCHEMBL4052094 0.81 NOTUM (0.38) NOTUMNISCH
SCHEMBL4048514 0.80 GP6 (0.40) GAANISCHMAPTRXFP1
SCHEMBL4050892 0.79 DCUN1D1 (0.49) GAAIDO1TP53MAPTALOX15
SCHEMBL4046435 0.79 IDO1 (0.53) MGAMGAASIMGAM2NOTUM
SCHEMBL4048612 0.79 HSD17B1 (0.46) MGAMGAASIMGAM2ESR2
SCHEMBL4050203 0.78 SCN2A (0.51) NOTUMIDO1PIN1GRK6SMN1; SMN2
SCHEMBL4046187 0.77 NPC1 (0.38) MGAMGAASIMGAM2NOTUM
SCHEMBL4041229 0.75 DCUN1D1 (0.52) GAANOTUMPIN1NISCHGRK6
SCHEMBL4051736 0.73 NR1H2 (0.39) HPGDSNISCHGRK6LMNAMAPK1
SCHEMBL4043281 0.71 ALPL (0.37)

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 MGAM 2052/4885GAA 1411/4885SI 867/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R MGAM 2182/4885GAA 1654/4885SI 2274/4885

“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.