SCHEMBL5585734

SCHEMBL5585734

CN(CCc1ccc(Cl)c(Cl)c1)c1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 6/20 0.49
NPC1 O15118 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
GCGR P47871 7/20 0.45
GIPR P48546 7/20 0.45
SMN1; SMN2 Q16637 3/20 0.42
NR1I3 Q14994 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
EIF4E P06730 2/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL5585256 0.88 GCGR (0.44) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL5585461 0.84 GCGR (0.56) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL5585462 0.84 GCGR (0.51) KDM4EMEN1KMT2AGCGRGIPR
SCHEMBL5585205 0.83 KMT2A (0.49) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL5585389 0.82 ENPP2 (0.41) GCGRGIPRSMN1; SMN2NPSR1
SCHEMBL5585486 0.81 KMT2A (0.47) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL5585685 0.79 KDM4E (0.45) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL5585800 0.79 GCGR (0.60) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL5585380 0.79 GCGR (0.49) RAB9AKDM4ENPC1MEN1KMT2A
SCHEMBL1746621 0.79 KMT2A (0.60) RAB9AKDM4ENPC1MEN1KMT2A

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 RAB9A 1736/4885KDM4E 1482/4885NPC1 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.