SCHEMBL16616890

SCHEMBL16616890

CCN(C(=O)O)c1ccc(NCc2ccc(Br)cc2)c(F)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 9/20 0.47
KCNQ3 O43525 8/20 0.47
KCNQ4 P56696 4/20 0.38
KCNQ5 Q9NR82 4/20 0.38
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
POLB P06746 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
TGM2 P21980 1/20 0.34
ABCB11 O95342 1/20 0.34
ESR1 P03372 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
NFKB1 P19838 1/20 0.34

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
SCHEMBL16616629 0.91 KCNQ2 (0.57) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL15348368 0.77 KCNQ2 (0.59) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL16616405 0.76 KCNQ3 (0.43) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL16616403 0.76 KCNQ3 (0.43) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL15357268 0.74 KCNQ2 (0.83) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL16616598 0.73 KCNQ3 (0.45) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL15526789 0.72 KCNQ2 (0.48) KCNQ2KCNQ3KCNQ4KCNQ5KDM4C
SCHEMBL16616466 0.71 KCNQ2 (0.46) KCNQ2KCNQ3KCNQ4KCNQ5KMT2A
SCHEMBL4058596 0.69 KCNQ3 (0.56) KCNQ2KCNQ3KMT2AL3MBTL1ABCB11
SCHEMBL15357266 0.69 MAPT (0.46) KCNQ2KCNQ3KMT2AL3MBTL1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556114-B2 Fluorinated 2-amino-4-(benzylamino)phenylcarbamate derivatives SCIFLUOR LIFE SCIENCES, INC. (US) 2017-01-31 US disclosed
US-20150098902-A1 Fluorinated 2-Amino-4-(Benzylamino)Phenylcarbamate Derivatives SCIFLUOR LIFE SCIENCES, INC. 2015-04-09 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-20150098902-A1 Fluorinated 2-Amino-4-(Benzylamino)Phenylcarbamate Derivatives FAAH, CACNA1B, FAAH2 KCNQ2 30/4885KCNQ3 48/4885KCNQ4 55/4885

“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.