SCHEMBL16017308

SCHEMBL16017308

Cc1cccc(F)c1C(=O)Nc1ccc(C(F)(F)c2ccccc2C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.46
RAB9A P51151 2/20 0.45
ITGB1 P05556 2/20 0.45
ITGA4 P13612 2/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
RORC P51449 1/20 0.44
TRPA1 O75762 3/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.43
CYP1A2 P05177 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
GRM4 Q14833 1/20 0.42
TLR8 Q9NR97 2/20 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
SCHEMBL16017292 0.92 RAB9A (0.50) TLR7RAB9AITGB1ITGA4HTT
SCHEMBL14887360 0.86 GRM4 (0.35) TLR7RAB9AITGB1ITGA4LMNA
SCHEMBL16017288 0.86 LMNA (0.49) RAB9ALMNAHTTSMN1; SMN2MAPT
SCHEMBL16017296 0.86 RAB9A (0.53) TLR7RAB9AITGB1ITGA4HTT
SCHEMBL14887356 0.83 GRM4 (0.45) TLR7RAB9ALMNAHTTSMN1; SMN2
SCHEMBL14887637 0.82 AKR1C3 (0.45) TLR7RAB9AITGB1ITGA4LMNA
SCHEMBL16017291 0.82 MEN1 (0.57) RAB9ALMNAHTTSMN1; SMN2MAPT
SCHEMBL14887357 0.81 GRM4 (0.46) RAB9ALMNAHTTMAPTRORC
SCHEMBL16017271 0.81 TRPA1 (0.43) TLR7RAB9AITGB1ITGA4LMNA
SCHEMBL14887359 0.80 RORC (0.37) TLR7ITGB1ITGA4RORCKCNK3

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 TLR7 4757/4885RAB9A 1174/4885ITGB1 4438/4885

“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.