SCHEMBL5585255

SCHEMBL5585255

CC(C)N(Cc1ccc(C(=O)O)cc1)c1nc(-c2ccc(OC3CCCC3)cc2)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.47
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
AVPR1B P47901 1/20 0.43
CPB1 P15086 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 1/20 0.41
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CSNK2A1 P68400 1/20 0.40
ITGB3 P05106 1/20 0.39

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
SCHEMBL14601453 0.88 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
Hydrochloric Acid SCHEMBL5585221 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5585411 0.85 FFAR1 (0.44) TRPM8ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3451932 0.82 ITGB3 (0.47) TRPM8ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3451936 0.82 ITGB3 (0.47) TRPM8ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL3451457 0.81 ITGB3 (0.47) TRPM8ALDH1A1KDM4ESMN1; SMN2RAB9A
SCHEMBL5585665 0.80 HDAC3 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5585890 0.80 MRE11 (0.38) TRPM8ALDH1A1KDM4ERAB9ACPB1
SCHEMBL5585916 0.80 TRPM8 (0.41) TRPM8AVPR1BCPB1MEN1KMT2A
SCHEMBL5585238 0.79 RAB9A (0.50) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1

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 TRPM8 1838/4885ALDH1A1 2229/4885KDM4E 1482/4885

“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.