SCHEMBL6004934

SCHEMBL6004934

CCOC(=O)Nc1ccc(CNc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
RAB9A P51151 4/20 0.49
NPC1 O15118 4/20 0.49
MAPK1 P28482 3/20 0.49
PKM P14618 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNQ3 O43525 1/20 0.49
KCNQ2 O43526 1/20 0.49
KCNQ4 P56696 1/20 0.49
KCNQ5 Q9NR82 1/20 0.49
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
LMNA P02545 3/20 0.45
HSD17B10 Q99714 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
SCHEMBL6004821 0.94 KCNQ3 (0.48) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6004295 0.91 KCNQ3 (0.50) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6005020 0.91 KCNQ3 (0.52) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6005439 0.89 KCNQ2 (0.64) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6005377 0.89 MAPT (0.51) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL8966767 0.89 KCNQ3 (0.54) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6005096 0.89 MAPT (0.48) MAPTPKMPOLBL3MBTL1KCNQ3
SCHEMBL6004957 0.89 KCNQ3 (0.55) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6005078 0.89 KCNQ3 (0.50) MAPTRAB9ANPC1MAPK1PKM
SCHEMBL6004332 0.88 ALDH1A1 (0.54) MAPTRAB9ANPC1MAPK1SMN1; SMN2

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 860/4885RAB9A 1478/4885NPC1 237/4885

“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.