SCHEMBL5585907

SCHEMBL5585907

COC(=O)c1ccc(CN(C)c2nc(-c3ccc(N(C)Cc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.40
GCGR P47871 11/20 0.40
GIPR P48546 9/20 0.40
STAT3 P40763 1/20 0.40
MRE11 P49959 1/20 0.40
CPB1 P15086 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37
CPT1A P50416 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
SCHEMBL5585392 0.90 RXRA (0.42) GCGRGIPRSTAT3MRE11CPB1
SCHEMBL6000638 0.90 RXRA (0.42) GCGRGIPRSTAT3MRE11CPB1
SCHEMBL5585253 0.90 CA1 (0.41) NR1H4STAT3MRE11CPB1TRPA1
SCHEMBL5585530 0.90 LMNA (0.42) MRE11ALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL5585724 0.90 MRE11 (0.38) GCGRGIPRSTAT3MRE11CPB1
Hydrochloric Acid SCHEMBL5585448 0.89 RXRA (0.41) GCGRGIPRSTAT3MRE11CPB1
SCHEMBL5585241 0.89 RXRA (0.41) GCGRGIPRSTAT3MRE11CPB1
SCHEMBL5585528 0.89 RXRA (0.41) GCGRGIPRSTAT3MRE11CPB1
SCHEMBL5585463 0.89 RXRA (0.43) GCGRGIPRMRE11CPB1ALDH1A1
Potassium Ion SCHEMBL5585240 0.89 GCGR (0.39) GCGRGIPRSTAT3MRE11CPB1

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 NR1H4 302/4885GCGR 317/4885GIPR 195/4885

“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.