SCHEMBL5585478

SCHEMBL5585478

CC(C)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(NCc3ccc(C4CCCCC4)cc3)cc2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRE11 P49959 1/20 0.39
TRPA1 O75762 1/20 0.37
RAB9A P51151 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
KMT2A Q03164 1/20 0.37
S1PR1 P21453 2/20 0.37
GHSR Q92847 2/20 0.36
GCGR P47871 3/20 0.36
GIPR P48546 3/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
SERPINE1 P05121 1/20 0.36
CSNK2A1 P68400 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
SCHEMBL5585653 0.89 RAB9A (0.41) MRE11TRPA1RAB9AGAAMEN1
Hydrochloric Acid SCHEMBL5585772 0.89 RAB9A (0.40) MRE11TRPA1RAB9AGAAMEN1
SCHEMBL5585688 0.89 RAB9A (0.40) MRE11TRPA1RAB9AGAAMEN1
SCHEMBL5585469 0.88 ENPP2 (0.41) MRE11TRPA1RAB9AGAAMEN1
Sulfuric Acid SCHEMBL5585543 0.88 ENPP2 (0.41) MRE11TRPA1RAB9AGAAMEN1
SCHEMBL5585459 0.88 HDAC3 (0.48) MRE11TRPA1RAB9AMEN1ALDH1A1
SCHEMBL5585757 0.86 CPB1 (0.39) MRE11TRPA1RAB9AGAAMEN1
SCHEMBL6000111 0.86 CPB1 (0.39) MRE11TRPA1RAB9AGAAMEN1
SCHEMBL5585442 0.86 GRM1 (0.42) RAB9AGAAMEN1ALDH1A1KMT2A
SCHEMBL5585457 0.85 FFAR1 (0.44) MRE11RAB9AALDH1A1NPC1SMN1; 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 MRE11 4833/4885TRPA1 2170/4885RAB9A 1736/4885

“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.