SCHEMBL4045129

SCHEMBL4045129

Fc1ccc(-c2n[c][nH]c2-c2cccnc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 4/20 0.43
NPY5R Q15761 1/20 0.43
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
ELOVL1 Q9BW60 1/20 0.40
KDM4E B2RXH2 1/20 0.40
PTGS2 P35354 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 1/20 0.39
TDO2 P48775 1/20 0.39
MAPK13 O15264 1/20 0.39
ALOX5 P09917 1/20 0.39
GCGR P47871 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
NPC1 O15118 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
SCHEMBL8601356 0.81 MAPK14 (0.55) ALDH1A1CYP1A2CYP3A4KDM4EMAPK13
SCHEMBL11272961 0.75 MAPK14 (0.68) GPR55NPY5RCYP19A1CYP3A4CYP2A6
SCHEMBL6986836 0.73 CYP11B1 (0.47) NPY5RALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL29598073 0.73 CYP2A6 (0.68) GPR55CYP19A1ALDH1A1CYP1A2CYP3A4
SCHEMBL29468040 0.73 CYP2A6 (0.68) GPR55CYP19A1ALDH1A1CYP1A2CYP3A4
SCHEMBL22778132 0.73 CYP2A6 (0.68) GPR55CYP19A1ALDH1A1CYP1A2CYP3A4
SCHEMBL3321443 0.73 CYP2A6 (0.68) GPR55CYP19A1ALDH1A1CYP1A2CYP3A4
SCHEMBL11267958 0.72 MAPK14 (0.50) CYP19A1ALDH1A1CYP1A2CYP3A4KDM4E
SCHEMBL7356788 0.70 CYP2A6 (0.50) NPY5RALDH1A1CYP1A2CYP3A4CYP2A6
SCHEMBL6601244 0.69 MAPK14 (0.68) GPR55NPY5RCYP19A1CYP3A4ELOVL1

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 GPR55 249/4885NPY5R 2/4885CYP19A1 80/4885
US-20060111380-A1 Novel azole derivatives NPY1R, NPY5R, NPY2R GPR55 282/4885NPY5R 2/4885CYP19A1 48/4885

“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.