SCHEMBL16017396

SCHEMBL16017396

CN(c1ccc(NC(=O)c2ccccc2F)cc1)c1cc(F)ccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
NPC1 O15118 11/20 0.54
RAB9A P51151 11/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
MAPT P10636 4/20 0.54
TP53 P04637 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TDP1 Q9NUW8 1/20 0.52
TLR8 Q9NR97 1/20 0.48
KDM4E B2RXH2 1/20 0.45
HTT P42858 2/20 0.44
SNCA P37840 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL16017400 0.91 LMNA (0.55) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16017405 0.89 NPC1 (0.58) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14887644 0.88 LMNA (0.51) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16017393 0.88 IL2 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL14887629 0.84 SNCA (0.39) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL14887628 0.84 ITGB1 (0.42) LMNARAB9ASMN1; SMN2MAPTMEN1
SCHEMBL16017395 0.83 SMN1; SMN2 (0.43) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16020209 0.83 KCNQ3 (0.41) SMN1; SMN2TLR8HTT
SCHEMBL14887632 0.80 LMNA (0.52) LMNANPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16017398 0.79 IL2 (0.45) NPC1RAB9ASMN1; SMN2MAPTTP53

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-20140256771-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. 2014-09-11 US disclosed
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 LMNA 1306/4885NPC1 262/4885RAB9A 1174/4885

“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.