SCHEMBL6004889

SCHEMBL6004889

CCOC(=O)Nc1ccc(CNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.51
KCNQ2 O43526 5/20 0.48
KCNQ3 O43525 4/20 0.48
KCNQ4 P56696 3/20 0.48
KCNQ5 Q9NR82 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
SERPINE1 P05121 2/20 0.45
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
FBP1 P09467 1/20 0.44
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL20133927 0.93 THRB (0.53) THRBKCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL6004798 0.89 KCNQ2 (0.56) THRBKCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL6004295 0.88 KCNQ3 (0.50) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL6004957 0.87 KCNQ3 (0.55) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL8966006 0.87 KCNQ2 (0.58) THRBKCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL6004934 0.86 MAPT (0.49) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL6005096 0.85 MAPT (0.48) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL30814183 0.84 KCNQ2 (0.64) THRBKCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL4983950 0.84 THRB (0.52) THRBKCNQ2KCNQ3KCNQ4KCNQ5
SCHEMBL3106484 0.84 KCNQ2 (0.64) THRBKCNQ2KCNQ3KCNQ4KCNQ5

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-20060167087-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-27 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-20060167087-A1 Substituted aniline derivatives CYP3A43, UGT2B7, CYP3A7 THRB 3021/4885KCNQ2 2612/4885KCNQ3 2474/4885

“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.