SCHEMBL4047366

SCHEMBL4047366

FC(F)(F)c1ccccc1-c1cc2[nH][c]nn2n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
CYP2C19 P33261 3/20 0.39
CYP3A4 P08684 2/20 0.38
HSD11B1 P28845 4/20 0.38
KMO O15229 2/20 0.37
ACP1 P24666 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
CNR2 P34972 1/20 0.35
TRPA1 O75762 2/20 0.35
SCN9A Q15858 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
TGFBR1 P36897 1/20 0.34

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
SCHEMBL4052401 0.71 ALPL (0.35) CYP1A2CYP3A4KMOF2RL3TGFBR1
SCHEMBL22659035 0.66 HSD11B1 (0.50) CYP1A2CYP2C19CYP3A4HSD11B1ACP1
SCHEMBL4045894 0.65 HSD11B1 (0.41) CYP1A2CYP2C19CYP3A4HSD11B1KMO
SCHEMBL15637413 0.65 NOTUM (0.43) CYP1A2CYP2C19CYP3A4HSD11B1KMO
SCHEMBL2121002 0.65 NOTUM (0.42) CYP1A2CYP2C19CYP3A4HSD11B1KMO
SCHEMBL11625330 0.64 NOTUM (0.45) CYP1A2CYP2C19CYP3A4HSD11B1KMO
SCHEMBL30021576 0.63 NOTUM (0.44) CYP1A2CYP2C19CYP3A4HSD11B1KMO
SCHEMBL9383781 0.63 HSD11B1 (0.54) CYP1A2CYP2C19CYP3A4HSD11B1F2RL3
SCHEMBL197671 0.62 HSD11B1 (0.56) CYP1A2CYP2C19CYP3A4HSD11B1TRPA1
SCHEMBL22659757 0.62 HSD11B1 (0.42) CYP1A2CYP2C19CYP3A4HSD11B1KMO

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 CYP1A2 333/4885CYP2C19 221/4885CYP3A4 547/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R CYP1A2 335/4885CYP2C19 234/4885CYP3A4 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.