SCHEMBL2836314

SCHEMBL2836314

COC(=O)c1csc(-c2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)ccc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
NOTUM Q6P988 4/20 0.39
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
PTGER1 P34995 1/20 0.34
HPGD P15428 2/20 0.33
LDHA P00338 1/20 0.33
AGPAT2 O15120 1/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL2835936 0.90 GAA (0.46) NOTUMNPSR1GAAMAPTALDH1A1
SCHEMBL6205890 0.84 EIF4E (0.30) AGPAT2
SCHEMBL5732815 0.82 CNR1 (0.33) NPSR1MAPTALDH1A1SMN1; SMN2
SCHEMBL2838729 0.82 KDM4E (0.39) GAAHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL2836889 0.80 GABRA1 (0.37) GAAMAPTHPGDKDM4EALDH1A1
SCHEMBL2836064 0.80 MAPT (0.43) MAPTLDHAKDM4ESMN1; SMN2
SCHEMBL6697536 0.79 MEN1 (0.44) NOTUMNPSR1GAAMAPTHPGD
SCHEMBL2841129 0.78 KDM4E (0.35) GAAMAPTKDM4EALDH1A1
SCHEMBL24960675 0.78 RAB9A (0.43) NOTUMNPSR1GAAMAPTALDH1A1
SCHEMBL1573450 0.77 ALDH1A1 (0.41) NPSR1MAPTHPGDKDM4EALDH1A1

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-7754880-B2 Uracils having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2010-07-13 US claimed
US-20060025591-A1 New uracils having a herbicidal activity ISEM S.R.L. (IT) 2006-02-02 US claimed
US-7754880-B2 Uracils having a herbicidal activity ISAGRO RICERCA S.R.L. (IT) 2010-07-13 US disclosed
US-20060025591-A1 New uracils having a herbicidal activity ISEM S.R.L. (IT) 2006-02-02 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-20060025591-A1 New uracils having a herbicidal activity UNG, DDT, UMPS MAOA 1934/4885ACHE 259/4885NOTUM 713/4885

“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.