SCHEMBL6005482

SCHEMBL6005482

CCOC(=O)Nc1ccc(CNc2cccc(Cl)c2Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
MAPT P10636 8/20 0.46
TDP1 Q9NUW8 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KMT2A Q03164 3/20 0.44
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PKM P14618 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL6004296 0.86 MAPT (0.56) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6005096 0.84 MAPT (0.48) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6004334 0.84 RAB9A (0.51) ALDH1A1MAPTL3MBTL1KMT2AKCNQ3
SCHEMBL3104103 0.83 KCNQ2 (0.56) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL30795522 0.83 KCNQ2 (0.56) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6004969 0.83 KCNQ3 (0.51) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6004295 0.82 KCNQ3 (0.50) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6004336 0.82 MAPT (0.48) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6005377 0.82 MAPT (0.51) ALDH1A1MAPTTDP1L3MBTL1KMT2A
SCHEMBL6004934 0.82 MAPT (0.49) ALDH1A1MAPTL3MBTL1KMT2AKCNQ3

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 ALDH1A1 209/4885MAPT 860/4885TDP1 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.