SCHEMBL5585879

SCHEMBL5585879

O=C(O)c1ccc(C2(c3nc(-c4ccc(OCc5ccc(Cl)c(Cl)c5)cc4)cs3)CCCCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
RXRB P28702 3/20 0.42
ALKBH1 Q13686 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
NR4A2 P43354 1/20 0.40
RXRA P19793 2/20 0.39
RXRG P48443 2/20 0.39
S1PR1 P21453 1/20 0.39
HTR2A P28223 1/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
S1PR5 Q9H228 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
EIF4E P06730 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
SCHEMBL5585212 0.84 HRH3 (0.44) NPC1RAB9AKDM4ERXRBMRGPRX4
SCHEMBL5585912 0.84 HRH3 (0.44) NPC1RAB9AKDM4ERXRBMRGPRX4
SCHEMBL5585388 0.80 HRH3 (0.41) NPC1RAB9AKDM4ERXRBMRGPRX4
SCHEMBL5585418 0.77 CSNK2A1 (0.62) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5585293 0.76 RXRA (0.50) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5585892 0.76 NPC1 (0.49) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5585545 0.74 HRH3 (0.43) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL366521 0.74 NR4A2 (0.69) NPC1RAB9ARXRBALKBH1MRGPRX4
SCHEMBL5585686 0.73 KMT2A (0.47) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL5585797 0.73 KDM4E (0.47) NPC1RAB9AKDM4EMEN1KMT2A

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 NPC1 1217/4885RAB9A 1736/4885KDM4E 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.