SCHEMBL16019804

SCHEMBL16019804

O=C(Nc1ccc(Cc2ccc(F)cc2C(F)(F)F)c(F)c1)c1c(F)cncc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
P2RX7 Q99572 2/20 0.40
BUB1 O43683 1/20 0.40
CRACR2A Q9BSW2 1/20 0.39
KCNQ3 O43525 2/20 0.39
KCNQ2 O43526 2/20 0.39
KCNE1 P15382 2/20 0.39
KCNQ1 P51787 2/20 0.39
GRM4 Q14833 1/20 0.39
STIM1 Q13586 2/20 0.38
ORAI1 Q96D31 2/20 0.38
ORAI3 Q9BRQ5 1/20 0.38
DHFR P00374 1/20 0.38
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SCN8A Q9UQD0 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
SCHEMBL16020161 0.93 KCNQ3 (0.42) HDAC3HDAC1HDAC2HDAC6BUB1
SCHEMBL16019800 0.90 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL14887761 0.89 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC6KCNQ3
SCHEMBL16019838 0.89 GRM4 (0.44) HDAC3HDAC1HDAC2HDAC6BUB1
SCHEMBL16017302 0.89 RAB9A (0.47) CRACR2AGRM4STIM1ORAI1ORAI3
SCHEMBL14887598 0.88 GRM4 (0.41) BUB1CRACR2AKCNQ3KCNQ2KCNE1
SCHEMBL16017293 0.87 HTT (0.46) HDAC3HDAC1HDAC2HDAC6P2RX7
SCHEMBL14887772 0.83 SCN8A (0.40) KCNQ3KCNQ2KCNE1KCNQ1GRM4
SCHEMBL14887582 0.83 GRM4 (0.40) CRACR2AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL14887752 0.82 RAB9A (0.47) CRACR2AGRM4STIM1ORAI1ORAI3

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 HDAC3 1653/4885HDAC1 2696/4885HDAC2 2333/4885

“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.