SCHEMBL16616405

SCHEMBL16616405

CCN(C(=O)O)c1ccc(NCc2ccc(F)cc2)c([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 3/20 0.43
KCNQ2 O43526 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
CYP2C19 P33261 3/20 0.40
MITF O75030 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 1/20 0.38
CYP2D6 P10635 2/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38

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
SCHEMBL16616403 1.00 KCNQ3 (0.43) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL16616629 0.85 KCNQ2 (0.57) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL15347756 0.80 KCNQ3 (0.53) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL15347755 0.80 KCNQ3 (0.53) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL15537765 0.77 MEN1 (0.45) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL15537764 0.77 MEN1 (0.45) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL15357261 0.77 KCNQ2 (0.74) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL16616890 0.76 KCNQ2 (0.47) KCNQ3KCNQ2MAPTMEN1KMT2A
SCHEMBL15347825 0.76 HTT (0.53) KCNQ3KCNQ2HTTMAPTMEN1
SCHEMBL16616466 0.75 KCNQ2 (0.46) KCNQ3KCNQ2HTTMAPTMEN1

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 KCNQ3 48/4885KCNQ2 30/4885HTT 3854/4885

“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.