SCHEMBL5585530

SCHEMBL5585530

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
PTPN1 P18031 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
FFAR1 O14842 2/20 0.40
CYP3A4 P08684 1/20 0.40
KCNH2 Q12809 1/20 0.40
CPT1A P50416 1/20 0.40
SYK P43405 1/20 0.40
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
MRE11 P49959 1/20 0.38

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
SCHEMBL5585910 0.92 KMT2A (0.41) LMNAHRH3SMN1; SMN2MEN1KMT2A
SCHEMBL5999838 0.92 HRH3 (0.44) PTPN1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL5585466 0.92 HRH3 (0.44) PTPN1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL5585509 0.91 HRH3 (0.44) PTPN1HRH3SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5585627 0.91 HRH3 (0.44) PTPN1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL5585799 0.91 HRH3 (0.44) PTPN1HRH3SMN1; SMN2MEN1KMT2A
SCHEMBL5585787 0.91 HRH3 (0.39) LMNAPTPN1HRH3SMN1; SMN2MEN1
SCHEMBL5585507 0.90 HRH3 (0.41) LMNAPTPN1HRH3SMN1; SMN2MEN1
Potassium Ion SCHEMBL5585794 0.90 HRH3 (0.41) LMNAPTPN1HRH3SMN1; SMN2MEN1
SCHEMBL5585907 0.90 NR1H4 (0.40) LMNASMN1; SMN2MEN1KMT2AMAPT

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 LMNA 4756/4885PTPN1 2/4885HRH3 840/4885

“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.