SCHEMBL6005078

SCHEMBL6005078

CCOC(=O)Nc1ccc(CNc2ccc3ccccc3c2)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
KMT2A Q03164 6/20 0.48
MAPT P10636 5/20 0.48
MEN1 O00255 4/20 0.48
ALPG P10696 1/20 0.48
NPC1 O15118 7/20 0.48
RAB9A P51151 7/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 2/20 0.45
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
HPGD P15428 1/20 0.42

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 0.89 MAPT (0.49) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6004821 0.87 KCNQ3 (0.48) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6004295 0.87 KCNQ3 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL8966767 0.86 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6005020 0.86 KCNQ3 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6004332 0.86 ALDH1A1 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6005471 0.85 KCNQ3 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6004969 0.85 KCNQ3 (0.51) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6004275 0.85 KCNQ3 (0.48) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A
SCHEMBL6005377 0.85 MAPT (0.51) KCNQ3KCNQ2KCNQ4KCNQ5KMT2A

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.