SCHEMBL6003003

SCHEMBL6003003

CCOC(=O)Nc1ccc(CNc2ccc(F)cc2F)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 7/20 0.54
KCNQ3 O43525 6/20 0.54
KCNQ4 P56696 3/20 0.54
KCNQ5 Q9NR82 3/20 0.54
MAPK1 P28482 3/20 0.49
ABCB11 O95342 1/20 0.49
ESR1 P03372 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
TBXA2R P21731 1/20 0.49
CASP1 P29466 1/20 0.49
CYP2C19 P33261 1/20 0.49
SHMT2 P34897 1/20 0.49

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
SCHEMBL6004334 0.90 RAB9A (0.51) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL6005439 0.88 KCNQ2 (0.64) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL6004957 0.86 KCNQ3 (0.55) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL6005471 0.84 KCNQ3 (0.59) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL2235641 0.84 KCNQ2 (0.70) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL30795264 0.84 KCNQ2 (0.72) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL3102613 0.84 KCNQ2 (0.72) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL6005020 0.82 KCNQ3 (0.52) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL6004934 0.82 MAPT (0.49) KCNQ2KCNQ3KCNQ4KCNQ5MAPK1
SCHEMBL6004296 0.81 MAPT (0.56) KCNQ2KCNQ3MAPK1CYP1A2CYP3A4

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 KCNQ2 2612/4885KCNQ3 2474/4885KCNQ4 3100/4885

“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.