SCHEMBL4726035

SCHEMBL4726035

NN(C(=O)O)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
KCNN4 O15554 2/20 0.38
ALDH1A1 P00352 2/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALB P02768 1/20 0.35
PTPN1 P18031 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 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
SCHEMBL11512109 0.84 TSHR (0.40) TDP1CES2CES1ALDH1A1ALOX15
SCHEMBL3542145 0.83 CES2 (0.40) TDP1CES2CES1KCNN4ALDH1A1
SCHEMBL3349691 0.77 TDP1 (0.42) TDP1CES2CES1KCNN4ALDH1A1
SCHEMBL20405982 0.76 PARP1 (0.37) TDP1CES2CES1KCNN4ALOX15
SCHEMBL11592385 0.75 TRPM8 (0.49) TDP1ALDH1A1KMT2AMEN1MAPT
SCHEMBL2091489 0.75 DDB1 (0.47) TDP1CES2CES1ALDH1A1KDM4E
SCHEMBL4021117 0.75 ALDH1A1 (0.43) CES2CES1ALDH1A1KMT2AMEN1
SCHEMBL27787767 0.75 TSHR (0.33) TDP1CES2CES1ALDH1A1ALOX15
SCHEMBL9780039 0.75 KEAP1 (0.42) TDP1CES2CES1KCNN4ALDH1A1
SCHEMBL20405566 0.75 ALDH1A1 (0.36) KCNN4ALDH1A1KDM4EKMT2AMEN1

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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS EFREMOV IVAN 2008-11-13 US disclosed
WO-2008012623-A1 BENZIMIDAZOLYL COMPOUNDS AS POTENTIATORS OF MGLUR2 SUBTYPE OF GLUTAMATE RECEPTOR PFIZER PRODUCTS INC. (US) 2008-01-31 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-20080280933-A1 BENZIMIDAZOLYL COMPOUNDS PAICS, TMBIM6, ABCG2 TDP1 3147/4885CES2 1337/4885CES1 1437/4885

“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.