SCHEMBL6004336

SCHEMBL6004336

CCOC(=O)Nc1ccc(CNc2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNQ3 O43525 2/20 0.47
KCNQ2 O43526 2/20 0.47
KCNQ4 P56696 1/20 0.47
KCNQ5 Q9NR82 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 2/20 0.46
RECQL P46063 1/20 0.44
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNMA1 Q12791 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
SCHEMBL6005377 0.92 MAPT (0.51) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6005096 0.91 MAPT (0.48) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6004969 0.88 KCNQ3 (0.51) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6005020 0.87 KCNQ3 (0.52) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6004934 0.87 MAPT (0.49) MAPTL3MBTL1KCNQ3KCNQ2KCNQ4
SCHEMBL6004352 0.87 MAPT (0.50) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6004296 0.86 MAPT (0.56) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6004275 0.85 KCNQ3 (0.48) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6005471 0.85 KCNQ3 (0.59) MAPTTDP1L3MBTL1KCNQ3KCNQ2
SCHEMBL6004295 0.85 KCNQ3 (0.50) MAPTTDP1L3MBTL1KCNQ3KCNQ2

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 MAPT 860/4885TDP1 2762/4885L3MBTL1 4500/4885

“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.