SCHEMBL4045894

SCHEMBL4045894

FC(F)(F)c1ccccc1-c1c[nH][c]n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 2/20 0.41
CNR2 P34972 1/20 0.40
KMO O15229 2/20 0.40
NOTUM Q6P988 2/20 0.40
CYP2C19 P33261 2/20 0.39
ACP1 P24666 1/20 0.38
TRPA1 O75762 3/20 0.37
C1R P00736 1/20 0.37
SCN9A Q15858 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
TGFBR1 P36897 1/20 0.36
PSMB8 P28062 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
SCHEMBL6002862 0.83 TRPA1 (0.37) TRPA1TSHR
SCHEMBL4045966 0.77 IDO1 (0.46) NOTUM
SCHEMBL1436623 0.70 HSD11B1 (0.42) HSD11B1CYP1A2CYP3A4CNR2KMO
SCHEMBL21690275 0.70 HSD11B1 (0.46) HSD11B1CYP1A2CYP3A4CNR2KMO
SCHEMBL4719196 0.70 KDM4E (0.41) CYP1A2TSHR
SCHEMBL197671 0.70 HSD11B1 (0.56) HSD11B1CYP1A2CYP3A4NOTUMCYP2C19
SCHEMBL5660459 0.69 VCP (0.42) HSD11B1CYP1A2CYP3A4CNR2KMO
SCHEMBL15637413 0.69 NOTUM (0.43) HSD11B1CYP1A2CYP3A4CNR2KMO
SCHEMBL27776210 0.69 MPL (0.49) KMONOTUM
SCHEMBL11625330 0.68 NOTUM (0.45) HSD11B1CYP1A2CYP3A4CNR2KMO

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 HSD11B1 1985/4885CYP1A2 333/4885CYP3A4 547/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R HSD11B1 1657/4885CYP1A2 335/4885CYP3A4 601/4885

“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.