SCHEMBL6004296

SCHEMBL6004296

CCOC(=O)Nc1ccc(CNc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
L3MBTL1 Q9Y468 4/20 0.56
TDP1 Q9NUW8 3/20 0.56
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KCNMA1 Q12791 1/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 2/20 0.45
NR2F2 P24468 1/20 0.45
HTT P42858 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNQ3 O43525 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
SCHEMBL6005377 0.88 MAPT (0.51) MAPTL3MBTL1TDP1PKMRECQL
SCHEMBL6004336 0.86 MAPT (0.48) MAPTL3MBTL1TDP1PKMRECQL
SCHEMBL6005096 0.86 MAPT (0.48) MAPTL3MBTL1TDP1PKMRECQL
SCHEMBL6005482 0.86 ALDH1A1 (0.50) MAPTL3MBTL1TDP1PKMALDH1A1
SCHEMBL6004969 0.84 KCNQ3 (0.51) MAPTL3MBTL1TDP1PKMALDH1A1
SCHEMBL6004352 0.84 MAPT (0.50) MAPTL3MBTL1TDP1PKMRECQL
SCHEMBL30794368 0.83 KCNQ2 (0.58) MAPTL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL3112946 0.83 KCNQ2 (0.58) MAPTL3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL6005020 0.82 KCNQ3 (0.52) MAPTL3MBTL1TDP1PKMALDH1A1
SCHEMBL6004934 0.82 MAPT (0.49) MAPTL3MBTL1PKMRECQLALDH1A1

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 860/4885L3MBTL1 4500/4885TDP1 2762/4885

“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.