SCHEMBL16020161

SCHEMBL16020161

O=C(Nc1ccc(Cc2cc(F)ccc2C(F)(F)F)c(F)c1)c1c(F)cncc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
KCNE1 P15382 2/20 0.42
KCNQ1 P51787 2/20 0.42
BUB1 O43683 1/20 0.40
CRACR2A Q9BSW2 1/20 0.39
GRM4 Q14833 1/20 0.39
NTRK1 P04629 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SCD5 Q86SK9 1/20 0.39
FLT1 P17948 2/20 0.37
STIM1 Q13586 1/20 0.37
ORAI1 Q96D31 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL16019804 0.93 HDAC3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1BUB1
SCHEMBL14887772 0.90 SCN8A (0.40) KCNQ3KCNQ2KCNE1KCNQ1GRM4
SCHEMBL16019838 0.89 GRM4 (0.44) BUB1CRACR2AGRM4HDAC3HDAC1
SCHEMBL14887752 0.89 RAB9A (0.47) CRACR2AGRM4STIM1ORAI1HTT
SCHEMBL14887759 0.88 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1NTRK1
SCHEMBL16017306 0.87 HTT (0.46) FLT1LMNAHTTSMN1; SMN2SCN8A
SCHEMBL14887598 0.86 GRM4 (0.41) KCNQ3KCNQ2KCNE1KCNQ1BUB1
SCHEMBL16019800 0.83 HDAC3 (0.41) GRM4HDAC3HDAC1HDAC2HDAC6
SCHEMBL14887761 0.82 HDAC3 (0.43) KCNQ3KCNQ2KCNE1KCNQ1HDAC3
SCHEMBL16017302 0.82 RAB9A (0.47) CRACR2AGRM4STIM1ORAI1HTT

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KCNQ3 282/4885KCNQ2 173/4885KCNE1 202/4885

“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.