SCHEMBL3607316

SCHEMBL3607316

CCOC(=O)Nc1c(C)cc(NCc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 5/20 0.52
KCNQ3 O43525 4/20 0.52
KCNQ4 P56696 3/20 0.52
KCNQ5 Q9NR82 3/20 0.52
ALDH1A1 P00352 3/20 0.46
PPARA Q07869 2/20 0.41
THRB P10828 1/20 0.41
SERPINE1 P05121 1/20 0.40
FFAR1 O14842 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ADRA2A P08913 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX2 P34913 1/20 0.38
PPARG P37231 1/20 0.38
CRHR1 P34998 1/20 0.38

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
SCHEMBL8966006 0.85 KCNQ2 (0.58) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL30795257 0.84 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL3089700 0.84 KCNQ2 (0.60) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL3112934 0.81 KCNQ2 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL6004798 0.81 KCNQ2 (0.56) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL3099468 0.81 KCNQ2 (0.55) KCNQ2KCNQ3KCNQ4KCNQ5PPARA
SCHEMBL15357242 0.81 KCNQ3 (0.57) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL9260444 0.78 KCNQ2 (0.46) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL2070590 0.78 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1
SCHEMBL30796364 0.78 KCNQ2 (0.65) KCNQ2KCNQ3KCNQ4KCNQ5ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2010-03-11 US disclosed
US-7601870-B2 Such as Hexanoic acid (4-bromo-2,6-dimethyl-phenyl)-amide; potassium channel modulators; epilepsy H. LUNDBECK A/S (DK) 2009-10-13 US disclosed
EP-1791809-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2007-06-06 EP disclosed
US-20060155121-A1 Substituted aniline derivatives H. LUNDBECK A/S (DK) 2006-07-13 US disclosed
WO-2006029623-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-03-23 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 (2 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-20100063044-A1 SUBSTITUTED ANILINE DERIVATIVES NDUFS3, NAT1, PRMT3 KCNQ2 332/4885KCNQ3 304/4885KCNQ4 434/4885
US-20060155121-A1 Substituted aniline derivatives UGT2B7, NAT1, CYP1A2 KCNQ2 2118/4885KCNQ3 2451/4885KCNQ4 3102/4885

“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.