SCHEMBL3855948

SCHEMBL3855948

COC(=O)c1nc(N)sc1-c1ccccc1Oc1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HPGD P15428 3/20 0.57
HSD17B10 Q99714 1/20 0.57
PKM P14618 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.49
RCE1 Q9Y256 1/20 0.49
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
FBP1 P09467 1/20 0.39
IKBKB O14920 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL5772548 0.87 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL984311 0.82 KDM4E (0.67) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL11972335 0.79 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496375 0.79 KDM4E (0.75) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8283528 0.78 SCN9A (0.38) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL2951238 0.77 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL12797117 0.76 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496405 0.75 KDM4E (0.71) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL496802 0.73 ALDH1A1 (1.00) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL13680416 0.73 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10

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-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-7582664-B2 Acylaminothiazole derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2009-09-01 US disclosed
US-20060293365-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2006-12-28 US disclosed
WO-2005073226-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2005-08-11 WO 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-20060293365-A1 ACYLAMINOTHIAZOLE DERIVATIVES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS ASS1, QTRT2, MLLT1 KDM4E 225/4885ALDH1A1 126/4885SMN1; SMN2 1309/4885

“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.