SCHEMBL4043039

SCHEMBL4043039

FC(F)(F)c1ccccc1-c1c[c]n[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
HSD11B1 P28845 2/20 0.41
NPY5R Q15761 1/20 0.40
TRPA1 O75762 10/20 0.40
TRPM8 Q7Z2W7 4/20 0.40
C1R P00736 1/20 0.40
PSMB8 P28062 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
SCN9A Q15858 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
SCHEMBL1899150 0.77 NISCH (0.41) NOTUMTRPA1
SCHEMBL2820058 0.73 IDO1 (0.53)
SCHEMBL25430402 0.71 IDO1 (0.56) NOTUMHSD11B1NPY5RTRPA1TRPM8
SCHEMBL197671 0.70 HSD11B1 (0.56) NOTUMHSD11B1TRPA1TRPM8PSMB8
SCHEMBL4044592 0.69 NOTUM (0.43) NOTUMHSD11B1NPY5RTRPA1TRPM8
SCHEMBL1897779 0.69 DRD1 (0.41) TRPA1
SCHEMBL4046231 0.68 KIF11 (0.44) NOTUMNPY5RTRPV1
SCHEMBL8686436 0.68 HSD17B10 (0.54) NOTUMTRPA1TRPM8TRPV1SCN9A
SCHEMBL27632757 0.68 NOTUM (0.53) NOTUMHSD11B1TRPA1TRPM8TRPV1
Hydrochloric Acid SCHEMBL29010139 0.68 HSD11B1 (0.54) NOTUMHSD11B1TRPA1TRPM8PSMB8

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 7 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
EP-1689720-B1 PYRAZOLYL DERIVATIVES IN THE FORM OF DRUGS FOR TREATING ACUTE OR CHRONIC NEURONAL REGRESSIONS AVENTIS PHARMA SA (FR) 2009-04-15 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 NOTUM 2706/4885HSD11B1 1985/4885NPY5R 2/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NOTUM 2436/4885HSD11B1 1657/4885NPY5R 2/4885

“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.