SCHEMBL2682965

SCHEMBL2682965

COC(=O)c1nc(-c2ccc(Cl)c(OC)c2F)nc(NCc2ccccc2F)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
SLC26A6 Q9BXS9 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 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
SCHEMBL25273221 0.93 SMN1; SMN2 (0.40) SMN1; SMN2SLC26A6TAS1R3TAS1R1TAS1R2
SCHEMBL1654721 0.89 CYP1A2 (0.43) SMN1; SMN2LMNAUSP2CYP1A2CYP3A4
SCHEMBL118965 0.88 HTT (0.44) SMN1; SMN2LMNACYP3A4CYP2D6CYP2C19
SCHEMBL10087224 0.88 SMN1; SMN2 (0.39) SMN1; SMN2SLC26A6TAS1R3TAS1R1TAS1R2
SCHEMBL21584390 0.85 TDP1 (0.37) SMN1; SMN2SLC26A6LMNAMEN1KMT2A
SCHEMBL11913398 0.84 HSP90AA1 (0.38) SMN1; SMN2LMNAUSP2CYP1A2CYP3A4
SCHEMBL11902944 0.84 CYP1A2 (0.47) SMN1; SMN2LMNAUSP2CYP1A2CYP3A4
SCHEMBL12786028 0.84 MAPT (0.37) SMN1; SMN2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL1610274 0.83 ALDH1A1 (0.42) LMNAUSP2MAPTMEN1KMT2A
SCHEMBL1656975 0.82 MEN1 (0.37) SMN1; SMN2TAS1R3TAS1R1CYP1A2CYP3A4

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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
WO-2010125332-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA LIMITED (GB) 2010-11-04 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-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG SMN1; SMN2 4091/4885SLC26A6 4518/4885TAS1R3 1989/4885

“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.