SCHEMBL6005056

SCHEMBL6005056

CCOC(=O)Nc1ccc(C(C)Nc2ccccc2)cc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.53
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 4/20 0.53
NCOR2 Q9Y618 3/20 0.53
KCNQ2 O43526 2/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ4 P56696 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
AURKA O14965 1/20 0.44
RPS6KB1 P23443 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL3102043 0.89 KCNQ2 (0.49) HDAC3HDAC1HDAC2NCOR2KCNQ2
SCHEMBL30796241 0.89 KCNQ2 (0.49) HDAC3HDAC1HDAC2NCOR2KCNQ2
SCHEMBL3093876 0.86 KCNQ2 (0.50) HDAC3HDAC1HDAC2NCOR2KCNQ2
SCHEMBL30795882 0.86 KCNQ2 (0.50) HDAC3HDAC1HDAC2NCOR2KCNQ2
SCHEMBL27729083 0.82 CYP1A2 (0.49) HDAC3HDAC1HDAC2KCNQ2KCNQ3
SCHEMBL3106563 0.79 HDAC1 (0.47) HDAC3HDAC1HDAC2KCNQ2KCNQ3
SCHEMBL1829206 0.78 KCNQ2 (0.55) HDAC3HDAC1HDAC2NCOR2KCNQ2
SCHEMBL3106936 0.77 ALDH1A1 (0.48) HDAC3HDAC1HDAC2KCNQ2KCNQ3
SCHEMBL3106784 0.76 CYP1A2 (0.51) HDAC3HDAC1HDAC2KCNQ2KCNQ3
SCHEMBL3113156 0.76 KCNQ2 (0.68) HDAC3HDAC1HDAC2NCOR2KCNQ2

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 HDAC3 506/4885HDAC1 775/4885HDAC2 568/4885

“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.