SCHEMBL5585205

SCHEMBL5585205

CN(CCCc1ccccc1)c1ccc(-c2csc(N(C)Cc3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
MEN1 O00255 5/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GSTO1 P78417 1/20 0.44
CPB1 P15086 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.43
GCGR P47871 2/20 0.43
GIPR P48546 2/20 0.43
LPAR1 Q92633 2/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
GRM1 Q13255 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL5585486 0.98 KMT2A (0.47) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585256 0.89 GCGR (0.44) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL1746621 0.86 KMT2A (0.60) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585461 0.86 GCGR (0.56) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585462 0.85 GCGR (0.51) KMT2AMEN1L3MBTL1KDM4EGSTO1
SCHEMBL5585695 0.83 MEN1 (0.42) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585734 0.83 RAB9A (0.49) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585800 0.82 GCGR (0.60) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585380 0.82 GCGR (0.49) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL5585389 0.81 ENPP2 (0.41) SMN1; SMN2GSTO1NPSR1GCGRGIPR

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 2589/4885MEN1 3299/4885L3MBTL1 2360/4885

“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.