SCHEMBL5585461

SCHEMBL5585461

CN(CCc1ccc(C(C)(C)C)cc1)c1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GCGR P47871 11/20 0.56
GIPR P48546 11/20 0.56
PTGES O14684 2/20 0.46
ALOX5 P09917 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 3/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESRRG P62508 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL5585800 0.93 GCGR (0.60) GCGRGIPRPTGESALOX5MEN1
SCHEMBL5585462 0.92 GCGR (0.51) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585256 0.91 GCGR (0.44) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585205 0.86 KMT2A (0.49) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585426 0.85 GCGR (0.55) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585734 0.84 RAB9A (0.49) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585486 0.84 KMT2A (0.47) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585380 0.84 GCGR (0.49) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585389 0.83 ENPP2 (0.41) GCGRGIPRSMN1; SMN2
SCHEMBL5585470 0.81 GCGR (0.49) GCGRGIPRPTGESALOX5MEN1

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 5 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-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 195/4885PTGES 4468/4885

“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.