SCHEMBL16017405

SCHEMBL16017405

CN(c1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.58
RAB9A P51151 9/20 0.58
SMN1; SMN2 Q16637 7/20 0.58
MAPT P10636 4/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 2/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
TLR8 Q9NR97 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HTT P42858 2/20 0.48
HDAC6 Q9UBN7 1/20 0.47
ALDH1A1 P00352 3/20 0.45
MCL1 Q07820 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
KAT6A Q92794 1/20 0.44

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
SCHEMBL16017396 0.89 LMNA (0.55) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16017400 0.89 LMNA (0.55) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16017402 0.88 HDAC6 (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL14887634 0.86 KMT2A (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16017392 0.84 ITGB1 (0.44) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16019884 0.84 HDAC6 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16019883 0.84 HDAC6 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16017394 0.83 HDAC6 (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL14887632 0.77 LMNA (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL14887644 0.77 LMNA (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA

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 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885

“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.