SCHEMBL5585520

SCHEMBL5585520

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.44
KMT2A Q03164 7/20 0.43
MEN1 O00255 5/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM1 Q13255 2/20 0.43
RAB9A P51151 5/20 0.42
NPC1 O15118 5/20 0.42
GCGR P47871 2/20 0.42
GIPR P48546 2/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
MYC P01106 1/20 0.40
WDR5 P61964 1/20 0.40
RAD52 P43351 1/20 0.40
HTT P42858 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40

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
SCHEMBL1747338 0.89 KMT2A (0.56) KMT2AMEN1L3MBTL1GRM1RAB9A
SCHEMBL5585494 0.85 MAPT (0.57) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL5585907 0.80 NR1H4 (0.40) KMT2AMEN1GCGRGIPRMAPT
SCHEMBL1746543 0.77 KMT2A (0.53) KMT2AMEN1L3MBTL1GRM1RAB9A
SCHEMBL5585253 0.77 CA1 (0.41) KMT2AMEN1L3MBTL1GRM1RAB9A
SCHEMBL5585530 0.77 LMNA (0.42) KMT2AMEN1RAB9ANPC1MAPT
SCHEMBL1746621 0.77 KMT2A (0.60) KMT2AMEN1L3MBTL1GRM1RAB9A
SCHEMBL1744789 0.76 KMT2A (0.54) KMT2AMEN1L3MBTL1RAB9ANPC1
SCHEMBL16420939 0.76 KDM4E (0.54) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL1553078 0.76 ALDH1A1 (0.67) TLR8KMT2AMEN1RAB9ANPC1

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 TLR8 1859/4885KMT2A 2589/4885MEN1 3299/4885

“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.