SCHEMBL5585746

SCHEMBL5585746

CC(=O)OCOC(=O)c1ccc(CN(C)c2nc(-c3ccc(OCc4ccc(C5CCCCC5)cc4)cc3)cs2)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
FFAR1 O14842 2/20 0.38
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 2/20 0.34
MRE11 P49959 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
ENPP2 Q13822 1/20 0.34
GCGR P47871 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GRM1 Q13255 1/20 0.34
CPB1 P15086 1/20 0.34

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
SCHEMBL5585408 0.93 L3MBTL1 (0.39) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585910 0.92 KMT2A (0.41) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585530 0.90 LMNA (0.42) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5999838 0.88 HRH3 (0.44) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585466 0.88 HRH3 (0.44) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585760 0.88 FFAR1 (0.39) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585799 0.87 HRH3 (0.44) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585509 0.87 HRH3 (0.44) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL5585627 0.87 HRH3 (0.44) HRH3MAPTALDH1A1SMN1; SMN2FFAR1
SCHEMBL5585787 0.87 HRH3 (0.39) HRH3MAPTALDH1A1SMN1; SMN2FFAR1

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-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

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 HRH3 840/4885MAPT 4536/4885ALDH1A1 2229/4885

“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.