SCHEMBL6004295

SCHEMBL6004295

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.50
KCNQ2 O43526 1/20 0.50
KCNQ4 P56696 1/20 0.50
KCNQ5 Q9NR82 1/20 0.50
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
JAK2 O60674 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 3/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL6004934 0.91 MAPT (0.49) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6005096 0.91 MAPT (0.48) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6004957 0.91 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6005020 0.89 KCNQ3 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6004889 0.88 THRB (0.51) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6005078 0.87 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6004969 0.85 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6004821 0.85 KCNQ3 (0.48) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6005471 0.85 KCNQ3 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1
SCHEMBL6005439 0.85 KCNQ2 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5ALDH1A1

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 3 patents. 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
EP-1606247-A1 SUBSTITUTED ANILINE DERIVATIVES H. Lundbeck A/S (DK) 2005-12-21 EP disclosed
WO-2004080950-A1 SUBSTITUTED ANILINE DERIVATIVES H. LUNDBECK A/S (DK) 2004-09-23 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 (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 KCNQ3 2474/4885KCNQ2 2612/4885KCNQ4 3100/4885

“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.