SCHEMBL6696644

SCHEMBL6696644

CO/N=C(C(/C)=N\OCc1ccccc1NC(=O)O)\c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
HTT P42858 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 4/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL6693044 1.00 PTGS2 (0.44) PTGS2HTTCYP1A2CYP2C19CYP2D6
SCHEMBL6696646 1.00 PTGS2 (0.44) PTGS2HTTCYP1A2CYP2C19CYP2D6
SCHEMBL6693047 1.00 PTGS2 (0.44) PTGS2HTTCYP1A2CYP2C19CYP2D6
SCHEMBL6696504 0.87 PTGS2 (0.47) PTGS2HTTCYP1A2CYP2C19CYP2D6
SCHEMBL6696501 0.87 PTGS2 (0.47) PTGS2HTTCYP1A2CYP2C19CYP2D6
SCHEMBL6693803 0.84 PTGS2 (0.53) PTGS2HTTMEN1KMT2AALDH1A1
SCHEMBL6693807 0.84 PTGS2 (0.53) PTGS2HTTMEN1KMT2AALDH1A1
SCHEMBL7713710 0.80 HIF1A (0.42) PTGS2CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL17937978 0.80 HIF1A (0.42) PTGS2CYP1A2CYP2C19CYP2D6TSHR
SCHEMBL7713711 0.80 HIF1A (0.42) PTGS2CYP1A2CYP2C19CYP2D6TSHR

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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect BAYER AKTIENGESELLSCHAFT (DE) 2004-02-05 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-20040023806-A1 N-phenylcarbamates having a microbicide insecticide and acaricide effect CBR3, CBR1, CYP1B1 PTGS2 4199/4885HTT 3334/4885CYP1A2 192/4885

“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.