SCHEMBL5585397

SCHEMBL5585397

CN(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(CN3CCN(C(=O)OCc4ccccc4)CC3)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 8/20 0.47
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
HTT P42858 2/20 0.40
MAPK1 P28482 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
SCHEMBL5585506 0.91 KMT2A (0.50) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL5585705 0.85 NPC1 (0.46) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL1746621 0.79 KMT2A (0.60) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL25414776 0.75 MEN1 (0.51) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL5585205 0.73 KMT2A (0.49) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL5585486 0.72 KMT2A (0.47) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL1747338 0.71 KMT2A (0.56) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL5585375 0.71 CPB1 (0.46) ITGB3ITGA2BMEN1KMT2AL3MBTL1
SCHEMBL18674599 0.70 KMT2A (0.64) MEN1KMT2AL3MBTL1LMNANPC1
SCHEMBL5585748 0.70 PTGER1 (0.54)

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 ENPP2 1026/4885ITGB3 4100/4885ITGA2B 4054/4885

“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.