SCHEMBL4899461

SCHEMBL4899461

CCOC(=O)n1cc(-c2ccc(C#N)cc2)n(Cc2ccc(CP(=O)(OF)OF)c(Br)c2)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
MAPK14 Q16539 2/20 0.34
FNTA P49354 4/20 0.34
FNTB P49356 4/20 0.34
PGGT1B P53609 4/20 0.34
AR P10275 2/20 0.33
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL4891976 0.87 PTGS2 (0.35)
SCHEMBL4893914 0.87 MAPK10 (0.36) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4894160 0.83 MAPK10 (0.38) LMNASMN1; SMN2MAPK14FNTAFNTB
SCHEMBL4890698 0.82 CYP11B1 (0.39) MAPK14ARCYP11B1CYP11B2POLB
SCHEMBL4899455 0.82 PTPN1 (0.40) MAPTTDP1LMNASMN1; SMN2TSHR
SCHEMBL4890554 0.77 MAPK10 (0.38) SMN1; SMN2
SCHEMBL4901698 0.76 ALDH1A1 (0.38) MAPTTDP1SMN1; SMN2TSHRPOLB
SCHEMBL4891992 0.75 MAPK10 (0.39) MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4899314 0.74 MAPK10 (0.37) MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4895489 0.73 ALDH1A1 (0.39) TSHR

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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US claimed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS MAPT 2172/4885TDP1 483/4885LMNA 3553/4885

“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.