SCHEMBL5585253

SCHEMBL5585253

COC(=O)c1ccc(CN(C)c2nc(-c3ccc(NCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MRE11 P49959 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 3/20 0.37
CPT1A P50416 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRM1 Q13255 1/20 0.36
CPB1 P15086 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
STAT3 P40763 1/20 0.35
NR1H4 Q96RI1 1/20 0.35

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
SCHEMBL5585757 0.92 CPB1 (0.39) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6000111 0.92 CPB1 (0.39) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5585907 0.90 NR1H4 (0.40) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5585530 0.87 LMNA (0.42) MRE11ALDH1A1SMN1; SMN2MAPTCPT1A
SCHEMBL5585283 0.83 MAPT (0.51) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5585395 0.82 ALDH1A1 (0.41) TRPA1ALDH1A1SMN1; SMN2MAPTL3MBTL1
SCHEMBL5585473 0.82 GHSR (0.38) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5999050 0.82 HDAC3 (0.48) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5585653 0.82 RAB9A (0.41) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT
SCHEMBL5585688 0.81 RAB9A (0.40) MRE11TRPA1ALDH1A1SMN1; SMN2MAPT

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 CA1 1168/4885CA2 254/4885MRE11 4833/4885

“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.