SCHEMBL5585745

SCHEMBL5585745

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.58
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
HPGD P15428 2/20 0.44
TP53 P04637 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MDM2 Q00987 1/20 0.43
IP6K1 Q92551 1/20 0.42
IP6K3 Q96PC2 1/20 0.42
IP6K2 Q9UHH9 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
FAAH O00519 2/20 0.41
EPHX2 P34913 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 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
SCHEMBL5585703 0.87 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585701 0.86 RAB9A (0.53) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585468 0.86 RAB9A (0.59) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585459 0.86 HDAC3 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5585678 0.84 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2HPGDNPSR1
SCHEMBL5585377 0.84 RAB9A (0.56) RAB9ANPC1SMN1; SMN2PTPN1PTPN2
SCHEMBL5585414 0.82 NFKB1 (0.58) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL14601438 0.81 MAPT (0.48) RAB9ANPC1SMN1; SMN2TP53PKM
SCHEMBL5585478 0.81 MRE11 (0.39) RAB9ANPC1SMN1; SMN2PKMALDH1A1
SCHEMBL5585442 0.80 GRM1 (0.42) RAB9ANPC1ALDH1A1KDM4EPOLB

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.