SCHEMBL5476758

SCHEMBL5476758

CN(C(N)=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.45
ESR1 P03372 1/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.38
TACR1 P25103 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAOB P27338 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 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
SCHEMBL2754139 0.86 POLQ (0.43) POLQESR1GAALMNANFKB1
SCHEMBL31646111 0.85 GPBAR1 (0.41) POLQGPBAR1
SCHEMBL2088431 0.84 POLQ (0.46) POLQESR1GAALMNANFKB1
SCHEMBL25076165 0.84 TSPO (0.47) POLQESR1GAALMNANFKB1
SCHEMBL2088432 0.84 POLQ (0.50) POLQESR1GAALMNANFKB1
SCHEMBL4602848 0.82 POLQ (0.45) POLQESR1GAALMNANFKB1
SCHEMBL5331837 0.81 LMNA (0.42) POLQESR1GAALMNANFKB1
SCHEMBL31222332 0.81 TACR1 (0.46) POLQESR1GAALMNANFKB1
SCHEMBL194877 0.80 LMNA (0.41) POLQESR1GAALMNANFKB1
SCHEMBL2754134 0.79 POLQ (0.43) POLQESR1GAALMNANFKB1

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-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 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-20070185148-A1 M3 muscarinic acetylchoine receptor antagonists CHRM3, CHRM2, CHRM5 POLQ 3445/4885ESR1 2745/4885GAA 3754/4885

“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.