SCHEMBL5585430

SCHEMBL5585430

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

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
NPC1 O15118 3/20 0.45
KDM4E B2RXH2 2/20 0.45
RAB9A P51151 2/20 0.45
GCGR P47871 8/20 0.44
GIPR P48546 7/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TRPA1 O75762 1/20 0.42
EIF4E P06730 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALKBH1 Q13686 1/20 0.40

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 0.91 KMT2A (0.46) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585892 0.86 NPC1 (0.49) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585545 0.85 HRH3 (0.43) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585797 0.84 KDM4E (0.47) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585686 0.81 KMT2A (0.47) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585293 0.76 RXRA (0.50) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585418 0.76 CSNK2A1 (0.62) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL6154899 0.74 GCGR (0.57) MEN1KMT2ANPC1KDM4ERAB9A
SCHEMBL5585511 0.73 MAOB (0.41) MEN1KMT2AGCGRGIPRALKBH1
SCHEMBL4956655 0.73 GCGR (0.56) MEN1KMT2ANPC1KDM4ERAB9A

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 MEN1 3299/4885KMT2A 2589/4885NPC1 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.