SCHEMBL4044592

SCHEMBL4044592

FC(F)(F)c1ccccc1-c1n[c]n[nH]1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.43
HSD11B1 P28845 2/20 0.41
TRPA1 O75762 9/20 0.40
TRPM8 Q7Z2W7 4/20 0.40
TRPV1 Q8NER1 3/20 0.39
PARP1 P09874 1/20 0.38
NPY5R Q15761 1/20 0.38
C1R P00736 1/20 0.37
PSMB8 P28062 1/20 0.36
SCN9A Q15858 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
SCHEMBL4052221 0.77 DCUN1D1 (0.46) NOTUMTRPA1PARP1
SCHEMBL1119527 0.72 HSD11B1 (0.41) NOTUMHSD11B1TRPA1TRPM8TRPV1
SCHEMBL28226382 0.70 IDO1 (0.56) NOTUMHSD11B1TRPA1TRPM8TRPV1
SCHEMBL723099 0.70 HSD11B1 (0.46) NOTUMHSD11B1TRPA1TRPM8TRPV1
SCHEMBL197671 0.70 HSD11B1 (0.56) NOTUMHSD11B1TRPA1TRPM8TRPV1
SCHEMBL10671205 0.69 NOTUM (0.54) NOTUMHSD11B1TRPA1PARP1NPY5R
SCHEMBL4043039 0.69 NOTUM (0.46) NOTUMHSD11B1TRPA1TRPM8TRPV1
SCHEMBL9831253 0.69 NOTUM (0.46) NOTUMTRPA1TRPM8TRPV1
SCHEMBL4050332 0.68 GFER (0.46) NOTUMTRPV1PARP1
Hydrochloric Acid SCHEMBL29010139 0.68 HSD11B1 (0.54) NOTUMHSD11B1TRPA1TRPM8TRPV1

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 NOTUM 2706/4885HSD11B1 1985/4885TRPA1 2104/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R NOTUM 2436/4885HSD11B1 1657/4885TRPA1 2043/4885

“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.