SCHEMBL16017296

SCHEMBL16017296

Cc1cccc(F)c1C(=O)Nc1ccc(C(F)(F)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ITGB1 P05556 2/20 0.49
ITGA4 P13612 2/20 0.49
IL2 P60568 1/20 0.47
TLR7 Q9NYK1 4/20 0.47
TLR8 Q9NR97 7/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TRPA1 O75762 3/20 0.45
TYK2 P29597 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
NPC1 O15118 1/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
NOD2 Q9HC29 1/20 0.43

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
SCHEMBL14887755 0.91 RAB9A (0.55) RAB9AMAPTGAANPSR1ITGB1
SCHEMBL16017308 0.86 TLR7 (0.46) RAB9AMAPTGAANPSR1ITGB1
SCHEMBL16017324 0.84 HTT (0.47) RAB9AMAPTGAANPSR1IL2
SCHEMBL16019869 0.83 ITGB1 (0.47) RAB9AMAPTGAANPSR1ITGB1
SCHEMBL16019822 0.81 IL2 (0.47) RAB9AMAPTGAANPSR1IL2
SCHEMBL16017304 0.81 ITGB1 (0.53) RAB9AMAPTGAANPSR1ITGB1
SCHEMBL14887742 0.81 MEN1 (0.65) RAB9AMAPTTLR8MEN1KMT2A
SCHEMBL14887756 0.81 TYK2 (0.49) RAB9AMAPTGAANPSR1IL2
SCHEMBL16017326 0.81 GAA (0.52) GAAITGB1ITGA4TLR7TLR8
SCHEMBL16017392 0.80 ITGB1 (0.44) RAB9AMAPTGAANPSR1ITGB1

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 RAB9A 1174/4885MAPT 1478/4885GAA 994/4885

“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.