SCHEMBL5585470

SCHEMBL5585470

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(C)Cc3ccc(C(C)(C)C)cc3)c(Cl)c2)cs1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 7/20 0.49
GIPR P48546 7/20 0.49
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TRPM8 Q7Z2W7 2/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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 0.85 GCGR (0.60) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585450 0.84 STAT3 (0.45) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585461 0.81 GCGR (0.56) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL1746621 0.77 KMT2A (0.60) MEN1KMT2AKDM4ENPC1RAB9A
SCHEMBL5585426 0.76 GCGR (0.55) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585380 0.75 GCGR (0.49) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585734 0.74 RAB9A (0.49) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL6000081 0.73 RXRA (0.48) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585462 0.73 GCGR (0.51) GCGRGIPRMEN1KMT2AKDM4E
SCHEMBL5585506 0.72 KMT2A (0.50) MEN1KMT2AKDM4ENPC1RAB9A

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 195/4885MEN1 3299/4885

“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.