SCHEMBL6004352

SCHEMBL6004352

CCOC(=O)Nc1ccc(CNc2ccc(C)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.50
ALDH1A1 P00352 6/20 0.50
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 4/20 0.48
MEN1 O00255 3/20 0.48
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
PPIA P62937 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45

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
SCHEMBL6004969 0.93 KCNQ3 (0.51) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6005377 0.89 MAPT (0.51) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6005471 0.87 KCNQ3 (0.59) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6004336 0.87 MAPT (0.48) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6005020 0.86 KCNQ3 (0.52) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6005096 0.86 MAPT (0.48) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6004275 0.85 KCNQ3 (0.48) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6005439 0.85 KCNQ2 (0.64) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6004295 0.85 KCNQ3 (0.50) MAPTALDH1A1KCNQ3KCNQ2KCNQ4
SCHEMBL6004934 0.84 MAPT (0.49) MAPTALDH1A1KCNQ3KCNQ2KCNQ4

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 MAPT 860/4885ALDH1A1 209/4885KCNQ3 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.