SCHEMBL20133922

SCHEMBL20133922

CC(C)OC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.52
KCNQ2 O43526 3/20 0.52
KCNQ4 P56696 1/20 0.52
KCNQ5 Q9NR82 1/20 0.52
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 1/20 0.41
HTT P42858 1/20 0.40
ABCB11 O95342 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL14652406 0.89 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL2235641 0.86 KCNQ2 (0.70) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL17761691 0.83 KCNQ2 (0.74) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL6005439 0.80 KCNQ2 (0.64) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL28041172 0.76 ALDH1A1 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL20134035 0.76 KCNQ3 (0.55) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL8966006 0.76 KCNQ2 (0.58) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL8966767 0.75 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL6005471 0.74 KCNQ3 (0.59) KCNQ3KCNQ2KCNQ4KCNQ5MAPT
SCHEMBL20129868 0.73 KCNQ2 (0.73) KCNQ3KCNQ2KCNQ4KCNQ5MAPT

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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 KCNQ3 1235/4885KCNQ2 1257/4885KCNQ4 1297/4885

“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.