SCHEMBL5585442

SCHEMBL5585442

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(N(C)C(=O)c3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.42
MCHR1 Q99705 1/20 0.42
S1PR1 P21453 1/20 0.39
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
ALOX15 P16050 1/20 0.38
GRM5 P41594 1/20 0.38
ALDH1A1 P00352 2/20 0.37
DHODH Q02127 1/20 0.37
UCHL1 P09936 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL5585459 0.88 HDAC3 (0.48) MCHR1S1PR1RAB9AKDM4ENPC1
SCHEMBL5585478 0.86 MRE11 (0.39) S1PR1RAB9AKDM4EPOLBGAA
SCHEMBL5585457 0.84 FFAR1 (0.44) RAB9AKDM4EPOLBNPC1ALDH1A1
SCHEMBL5585524 0.83 FFAR1 (0.44) RAB9AKDM4EPOLBNPC1ALDH1A1
SCHEMBL5585745 0.80 RAB9A (0.58) RAB9AKDM4EPOLBGAAHTT
SCHEMBL5585817 0.80 HDAC3 (0.45) MCHR1S1PR1RAB9AKDM4EPOLB
SCHEMBL5585783 0.78 MRGPRX4 (0.39) MCHR1RAB9ANPC1UCHL1MEN1
SCHEMBL5585697 0.78 HDAC3 (0.51) MCHR1RAB9AKDM4ENPC1ALDH1A1
SCHEMBL6000463 0.78 HDAC3 (0.51) MCHR1RAB9AKDM4ENPC1ALDH1A1
SCHEMBL5585481 0.78 HDAC3 (0.43) MCHR1RAB9AKDM4ENPC1ALDH1A1

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 GRM1 2115/4885MCHR1 2050/4885S1PR1 960/4885

“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.