SCHEMBL5585892

SCHEMBL5585892

CN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PTGS2 P35354 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
MMP13 P45452 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL5585721 0.89 KMT2A (0.46) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585797 0.89 KDM4E (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585430 0.86 MEN1 (0.48) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585686 0.85 KMT2A (0.47) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585766 0.84 NPC1 (0.49) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585545 0.81 HRH3 (0.43) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL6000173 0.81 HRH3 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585571 0.81 HRH3 (0.44) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585293 0.80 RXRA (0.50) NPC1RAB9AMEN1KMT2AKDM4E
SCHEMBL5585418 0.80 CSNK2A1 (0.62) NPC1RAB9AMEN1KMT2AKDM4E

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 1736/4885MEN1 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.