SCHEMBL6155879

SCHEMBL6155879

COc1cccc(-c2csc(Nc3cccc(Br)c3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.67
KMT2A Q03164 11/20 0.67
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
CYP1A2 P05177 4/20 0.67
CYP1A1 P04798 3/20 0.67
CYP1B1 Q16678 3/20 0.67
MAPT P10636 6/20 0.66
PTGS2 P35354 2/20 0.66
PKM P14618 2/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2D6 P10635 1/20 0.66
CYP2C9 P11712 1/20 0.66
CYP2C19 P33261 1/20 0.66
CLK1 P49759 1/20 0.66
GSK3A P49840 1/20 0.66
GSK3B P49841 1/20 0.66
CDK5 Q00535 1/20 0.66
CDK5R1 Q15078 1/20 0.66
CSNK2A1 P68400 2/20 0.64

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
SCHEMBL12297169 0.89 CSNK2A1 (0.72) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL23742591 0.86 CYP1A2 (0.69) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12297187 0.85 MEN1 (0.78) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12297347 0.84 PTGS2 (0.69) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12297223 0.84 PTGS2 (0.69) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL23539883 0.83 VCP (0.65) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12297791 0.83 MEN1 (0.84) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12297345 0.82 CSNK2A1 (0.72) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL12298082 0.81 CSNK2A1 (0.67) MEN1KMT2ANPC1RAB9ACYP1A2
SCHEMBL1890978 0.81 MEN1 (0.78) MEN1KMT2ANPC1RAB9ACYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2005-03-24 US claimed

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-20050065118-A1 Organosulfur inhibitors of tyrosine phosphatases PTPRS, PTPRJ, PTPRCAP MEN1 4329/4885KMT2A 875/4885NPC1 4548/4885

“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.