SCHEMBL5585767

SCHEMBL5585767

CN(Cc1ccc(C2CCCCC2)cc1)c1ccc(-c2csc(N(C)c3ccc(C(=O)O)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP13 P45452 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTGS2 P35354 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41

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
SCHEMBL5585392 0.95 RXRA (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6000638 0.95 RXRA (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL5585448 0.94 RXRA (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5585528 0.94 RXRA (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5585241 0.94 RXRA (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL5585463 0.94 RXRA (0.43) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Sulfuric Acid SCHEMBL5585551 0.91 RXRA (0.40) RAB9AMEN1KMT2ARXRARXRB
SCHEMBL5585722 0.91 GCGR (0.41) RXRARXRBRXRGCPB1GCGR
Tromethamine SCHEMBL5585604 0.90 GCGR (0.40) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL6001059 0.89 RXRA (0.42) RAB9ANPC1MEN1KMT2ASMN1; SMN2

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 RAB9A 1736/4885NPC1 1217/4885MEN1 3299/4885

“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.