SCHEMBL16017291

SCHEMBL16017291

O=C(Nc1ccc(C(F)(F)c2ccccc2C(F)(F)F)c(F)c1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
LMNA P02545 1/20 0.54
TLR8 Q9NR97 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
PTPRC P08575 3/20 0.51
MAPT P10636 3/20 0.51
TP53 P04637 2/20 0.51
HTT P42858 2/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
PTGS1 P23219 1/20 0.51
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
CTSL P07711 1/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL16017292 0.87 RAB9A (0.50) NPC1RAB9ATLR8SMN1; SMN2TP53
SCHEMBL14887742 0.84 MEN1 (0.65) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL14887356 0.84 GRM4 (0.45) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL16017308 0.82 TLR7 (0.46) RAB9ALMNATLR8SMN1; SMN2MAPT
SCHEMBL16017288 0.81 LMNA (0.49) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL14887357 0.81 GRM4 (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL17531736 0.80 CYP1A2 (0.56) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL16127916 0.80 SMN1; SMN2 (0.51) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL16019835 0.80 MEN1 (0.55) MEN1KMT2ATDP1NPC1RAB9A
SCHEMBL14887747 0.79 MEN1 (0.54) MEN1KMT2ATDP1NPC1RAB9A

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 MEN1 2958/4885KMT2A 4706/4885TDP1 3096/4885

“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.