SCHEMBL5585652

SCHEMBL5585652

O=C(O)c1ccc(N(CC2CCCCC2)c2nc(-c3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3)cs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCGR P47871 13/20 0.50
GIPR P48546 12/20 0.50
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MCHR1 Q99705 1/20 0.41
MPL P40238 1/20 0.41

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
SCHEMBL5585770 0.90 GCGR (0.50) GCGRGIPR
SCHEMBL5585837 0.89 HDAC3 (0.48) GCGRGIPRKDM4EMAPTMAPK1
SCHEMBL5585589 0.81 HDAC3 (0.49) GCGRGIPRKDM4EMAPTMAPK1
SCHEMBL5585738 0.80 HDAC3 (0.48) GCGRGIPRKDM4EMAPTMAPK1
SCHEMBL5585683 0.79 GCGR (0.47) GCGRGIPRKDM4EMCHR1
SCHEMBL5585930 0.78 HDAC3 (0.46) GCGRGIPRKDM4EMAPTMAPK1
SCHEMBL5585521 0.77 GCGR (0.46) GCGRGIPRKDM4E
SCHEMBL5585531 0.77 GCGR (0.40) GCGRGIPRMAPT
SCHEMBL5585451 0.77 GCGR (0.45) GCGRGIPRKDM4E
SCHEMBL5585566 0.77 NFKB1 (0.59) GCGRGIPRKDM4EMAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-20050065196-A1 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-03-24 US disclosed
EP-1452530-A1 AZOLE COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-09-01 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 (1 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-20050065196-A1 Azole compound and medicinal use thereof PTPN7, PTPN1, PTPN5 GCGR 317/4885GIPR 195/4885KDM4E 1482/4885

“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.