SCHEMBL18019010

SCHEMBL18019010

O=C1Nc2cc(C(F)(F)F)ccc2[C@]1(F)c1cc(Cl)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.69
KCNQ2 O43526 1/20 0.69
KCNQ4 P56696 1/20 0.69
KCNMA1 Q12791 1/20 0.69
KCNQ5 Q9NR82 1/20 0.69
CHRNA7 P36544 1/20 0.45
TMPRSS4 Q9NRS4 7/20 0.40
PKM P14618 1/20 0.39
P2RX1 P51575 6/20 0.39
P2RX4 Q99571 4/20 0.39
P2RX7 Q99572 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
IKBKB O14920 1/20 0.39
CHUK O15111 1/20 0.39
KDR P35968 1/20 0.39
FLT3 P36888 1/20 0.39
MYLK Q15746 1/20 0.39
MAP4K5 Q9Y4K4 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL7072568 1.00 KCNQ3 (0.69) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL5857386 0.85 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL30796116 0.85 KCNQ3 (0.54) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL30322599 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL30364566 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL24051927 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL28942778 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
SCHEMBL28942804 0.84 KCNQ3 (0.56) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
Flindokalner SCHEMBL5144502 0.82 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5
Flindokalner SCHEMBL4056222 0.82 KCNQ3 (1.00) KCNQ3KCNQ2KCNQ4KCNMA1KCNQ5

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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LTD (GB) 2018-01-25 US disclosed
WO-2016128772-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 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-20180021303-A1 BKCA CHANNEL ACTIVATOR FOR TREATING MUSCULAR DISORDER KCNMA1, KCNMB1, KCNA1 KCNQ3 39/4885KCNQ2 31/4885KCNQ4 32/4885

“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.