SCHEMBL6004334

SCHEMBL6004334

CCOC(=O)Nc1ccc(CNc2ccccc2F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
KCNQ3 O43525 6/20 0.49
KCNQ2 O43526 6/20 0.49
KCNQ4 P56696 3/20 0.49
KCNQ5 Q9NR82 3/20 0.49
MAPT P10636 4/20 0.44
NPC1 O15118 3/20 0.44
MAPK1 P28482 2/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB11 O95342 1/20 0.44
ESR1 P03372 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL6003003 0.90 KCNQ2 (0.54) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6004934 0.86 MAPT (0.49) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6005471 0.84 KCNQ3 (0.59) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6005439 0.84 KCNQ2 (0.64) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6004957 0.84 KCNQ3 (0.55) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6005482 0.84 ALDH1A1 (0.50) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL30824699 0.84 KCNQ2 (0.65) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL3109739 0.84 KCNQ2 (0.65) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6004821 0.82 KCNQ3 (0.48) RAB9AKMT2AMEN1KCNQ3KCNQ2
SCHEMBL6004295 0.82 KCNQ3 (0.50) RAB9AKMT2AMEN1KCNQ3KCNQ2

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 RAB9A 1478/4885KMT2A 2966/4885MEN1 784/4885

“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.