SCHEMBL16017271

SCHEMBL16017271

Cc1cccc(F)c1C(=O)Nc1ccc(Cc2ccccc2C(F)(F)F)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.43
ITGB1 P05556 2/20 0.43
ITGA4 P13612 2/20 0.43
CYP1A2 P05177 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
F2R P25116 2/20 0.40
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
RORC P51449 1/20 0.40
MAPT P10636 1/20 0.40
GRM4 Q14833 1/20 0.40
EPAS1 Q99814 1/20 0.40
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39

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
SCHEMBL14887750 0.92 RAB9A (0.48) TRPA1ITGB1ITGA4CYP1A2SMN1; SMN2
SCHEMBL16017298 0.91 TRPA1 (0.43) TRPA1ITGB1ITGA4CYP1A2SMN1; SMN2
SCHEMBL16017334 0.91 ITGB1 (0.45) TRPA1ITGB1ITGA4CYP1A2SMN1; SMN2
SCHEMBL16017304 0.88 ITGB1 (0.53) TRPA1ITGB1ITGA4CYP1A2LMNA
SCHEMBL14887590 0.87 LMNA (0.43) TRPA1ITGB1ITGA4CYP1A2SMN1; SMN2
SCHEMBL16017273 0.87 HTT (0.46) TRPA1CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL16019840 0.84 GRM4 (0.43) TRPA1CYP1A2SMN1; SMN2LMNAHTT
SCHEMBL14887747 0.83 MEN1 (0.54) SMN1; SMN2LMNAHTTRAB9ANPC1
SCHEMBL16019838 0.83 GRM4 (0.44) LMNARORCMAPTGRM4STIM1
SCHEMBL16017302 0.82 RAB9A (0.47) TRPA1ITGB1ITGA4CYP1A2SMN1; 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 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 TRPA1 75/4885ITGB1 4438/4885ITGA4 4654/4885

“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.