SCHEMBL5585703

SCHEMBL5585703

CC(C)CN(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NC(=O)C3CCCCC3)cc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 5/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
PTPN1 P18031 2/20 0.43
PTPN2 P17706 1/20 0.43
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MDM2 Q00987 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
MAPT P10636 3/20 0.40
KDM4E B2RXH2 3/20 0.40
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
ALDH1A1 P00352 3/20 0.40
THRB P10828 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
SCHEMBL5585468 0.91 RAB9A (0.59) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585377 0.89 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585745 0.87 RAB9A (0.58) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585930 0.87 HDAC3 (0.46) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL5585516 0.83 NFKB1 (0.55) RAB9ANPC1SMN1; SMN2HPGDMAPT
SCHEMBL5585589 0.78 HDAC3 (0.49) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL5585701 0.76 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585824 0.76 GCGR (0.40) RAB9ANPC1SMN1; SMN2PKMMAPT
SCHEMBL5585738 0.75 HDAC3 (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E
SCHEMBL5585837 0.75 HDAC3 (0.48) RAB9ANPC1SMN1; SMN2MAPTKDM4E

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 RAB9A 1736/4885NPC1 1217/4885SMN1; SMN2 4461/4885

“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.