SCHEMBL5585702

SCHEMBL5585702

CN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 2/20 0.52
GIPR P48546 2/20 0.52
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPK1 P28482 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL6000463 0.83 HDAC3 (0.51) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5585697 0.83 HDAC3 (0.51) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5585537 0.81 MEN1 (0.70) NPC1RAB9AMAPTKDM4EMEN1
SCHEMBL5585566 0.79 NFKB1 (0.59) GCGRGIPRNPC1RAB9ANFKB1
SCHEMBL5585412 0.78 GCGR (0.49) GCGRGIPRNPC1RAB9ANFKB1
SCHEMBL5585414 0.78 NFKB1 (0.58) NPC1RAB9ANFKB1NFKB2RELA
SCHEMBL5585800 0.77 GCGR (0.60) GCGRGIPRNPC1RAB9AKDM4E
SCHEMBL5585861 0.76 MEN1 (0.55) GCGRGIPRNPC1RAB9ANFKB1
SCHEMBL5585516 0.76 NFKB1 (0.55) GCGRGIPRNPC1RAB9ANFKB1
SCHEMBL3873116 0.75 NR1H4 (0.81) NPC1RAB9ATRPV1MEN1KMT2A

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 195/4885NPC1 1217/4885

“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.