SCHEMBL5585488

SCHEMBL5585488

COc1ccc(-c2ccc(Cl)cc2)c(COc2ccc(-c3csc(N(Cc4ccc(C(=O)O)cc4)C(C)C)n3)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
PTGS2 P35354 2/20 0.43
MEN1 O00255 1/20 0.41
FFAR1 O14842 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
SRD5A2 P31213 2/20 0.40
GCGR P47871 1/20 0.40
GIPR P48546 1/20 0.40
NR4A2 P43354 1/20 0.40
EIF4E P06730 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CSNK2A1 P68400 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CRHBP P24387 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
SCHEMBL5585686 0.82 KMT2A (0.47) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL5585655 0.78 GCGR (0.49) ALDH1A1GCGRGIPRNR4A2PPARD
SCHEMBL14601449 0.75 KMT2A (0.40) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL5585411 0.75 FFAR1 (0.44) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL5585421 0.75 KMT2A (0.40) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL5585496 0.74 PTGER1 (0.52)
SCHEMBL5585255 0.74 TRPM8 (0.47) KMT2AKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5585732 0.73 KMT2A (0.43) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL5585510 0.72 PPARD (0.58) FFAR1PPARD
SCHEMBL5585238 0.71 RAB9A (0.50) KMT2AMAPTKDM4ENPC1RAB9A

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 KMT2A 2589/4885MAPT 4536/4885KDM4E 1482/4885

“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.