SCHEMBL16019883

SCHEMBL16019883

CN(c1ccc(NC(=O)c2c(F)cc(F)cc2F)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.45
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
GRM4 Q14833 1/20 0.40
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
IL2 P60568 1/20 0.39
TRPA1 O75762 3/20 0.38
TYK2 P29597 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
SCHEMBL16017394 0.92 HDAC6 (0.47) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL16017402 0.91 HDAC6 (0.47) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL16019825 0.89 SMN1; SMN2 (0.38) LMNASMN1; SMN2MAPTIL2TRPA1
SCHEMBL14887629 0.89 SNCA (0.39) NPC1RAB9ALMNASMN1; SMN2MAPT
SCHEMBL16019884 0.89 HDAC6 (0.45) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL14887630 0.88 GRM4 (0.41) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL16017392 0.84 ITGB1 (0.44) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL16017405 0.84 NPC1 (0.58) HDAC6NPC1RAB9AMEN1KMT2A
SCHEMBL16017398 0.83 IL2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL16017393 0.83 IL2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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 HDAC6 1662/4885NPC1 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.