SCHEMBL16017294

SCHEMBL16017294

Cc1cc(F)c(C(=O)Nc2ccc(Cc3ccc(F)cc3C(F)(F)F)cc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 2/20 0.41
PPARG P37231 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ITGB1 P05556 3/20 0.40
ITGA4 P13612 3/20 0.40
TRPA1 O75762 1/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
P2RX7 Q99572 2/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL16017330 0.92 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTITGB1ITGA4
SCHEMBL16019860 0.92 ITGB1 (0.41) SMN1; SMN2LMNAEPHX2PPARGHDAC3
SCHEMBL16017293 0.89 HTT (0.46) SMN1; SMN2LMNAHTTEPHX2PPARG
SCHEMBL16017268 0.89 ITGB1 (0.50) SMN1; SMN2HTTITGB1ITGA4TRPA1
SCHEMBL16017332 0.88 LMNA (0.45) SMN1; SMN2LMNAHTTHDAC1ITGB1
SCHEMBL14887744 0.87 ITGB1 (0.52) ITGB1ITGA4TRPA1GAAMEN1
SCHEMBL14887761 0.87 HDAC3 (0.43) SMN1; SMN2LMNAHTTEPHX2PPARG
SCHEMBL16017315 0.84 LMNA (0.42) SMN1; SMN2LMNAHTTITGB1ITGA4
SCHEMBL16017306 0.82 HTT (0.46) SMN1; SMN2LMNAHTTTRPA1POLB
SCHEMBL14887754 0.81 LMNA (0.58) SMN1; SMN2LMNAHTTPOLBMEN1

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 SMN1; SMN2 854/4885LMNA 1306/4885HTT 809/4885

“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.