SCHEMBL5585310

SCHEMBL5585310

CC(C)N(c1ccc(OCC(=O)O)cc1)c1nc(-c2ccc(NC(=O)c3ccc(N4CCCCC4)nc3)cc2)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
MCHR1 Q99705 3/20 0.42
MAPK14 Q16539 1/20 0.39
CPT2 P23786 1/20 0.39
CPT1A P50416 1/20 0.39
HDAC2 Q92769 1/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 2/20 0.38
HPGD P15428 1/20 0.37
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37

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
SCHEMBL5585264 0.91 MAPT (0.49) CPT2CPT1AKMT2ANPC1RAB9A
SCHEMBL5585763 0.84 ALDH1A1 (0.47) MAPK14KMT2ANPC1RAB9AMEN1
SCHEMBL5585769 0.83 HDAC3 (0.43) MCHR1CPT2CPT1AKMT2ANPC1
SCHEMBL5585428 0.81 MAPT (0.44) MCHR1KMT2ANPC1RAB9AMEN1
SCHEMBL5585701 0.80 RAB9A (0.53) CPT2CPT1AKMT2ANPC1RAB9A
SCHEMBL14601438 0.79 MAPT (0.48) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL5585569 0.79 MAPT (0.44) KMT2ANPC1RAB9AMEN1L3MBTL1
Hydrochloric Acid SCHEMBL5585570 0.79 MAPT (0.48) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL14601436 0.73 MAPT (0.48) KMT2ANPC1RAB9AMEN1L3MBTL1
SCHEMBL14601443 0.73 MAPT (0.44) KMT2ANPC1RAB9AMEN1L3MBTL1

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 TRPV1 1916/4885MCHR1 2050/4885MAPK14 1481/4885

“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.