SCHEMBL418894

SCHEMBL418894

COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)N(c4ccc(S(C)(=O)=O)cc4)N=C3C)o2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
XPA P23025 10/20 0.60
EP300 Q09472 2/20 0.57
CLEC4M Q9H2X3 1/20 0.55
GSK3A P49840 1/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
APEX1 P27695 2/20 0.53
NTSR1 P30989 1/20 0.53
GALK1 P51570 1/20 0.53
PTPN1 P18031 1/20 0.51
SIRT5 Q9NXA8 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49

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
SCHEMBL12900113 0.93 CLEC4M (0.65) XPAEP300CLEC4MGSK3AMEN1
SCHEMBL445806 0.93 CLEC4M (0.65) XPAEP300CLEC4MGSK3AMEN1
SCHEMBL445808 0.93 CLEC4M (0.65) XPAEP300CLEC4MGSK3AMEN1
SCHEMBL446574 0.83 GSK3A (0.62) XPAEP300GSK3AMEN1KMT2A
SCHEMBL420800 0.83 GSK3A (0.62) XPAEP300GSK3AMEN1KMT2A
SCHEMBL446576 0.83 GSK3A (0.62) XPAEP300GSK3AMEN1KMT2A
SCHEMBL445262 0.82 CLEC4M (0.79) XPAEP300CLEC4MMEN1KMT2A
SCHEMBL420952 0.82 CLEC4M (0.79) XPAEP300CLEC4MMEN1KMT2A
SCHEMBL445263 0.82 CLEC4M (0.79) XPAEP300CLEC4MMEN1KMT2A
SCHEMBL19652472 0.79 GSK3A (0.79) XPAEP300GSK3AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 US disclosed
US-20120065198-A2 Detection and Treatment of Schizophrenia TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2012-03-15 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-20120065198-A2 Detection and Treatment of Schizophrenia GLO1, CBR1, AOX1 XPA 4857/4885EP300 3876/4885CLEC4M 2009/4885

“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.