SCHEMBL16017302

SCHEMBL16017302

O=C(Nc1ccc(Cc2ccc(F)cc2C(F)(F)F)c(F)c1)c1c(F)cccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TRPA1 O75762 4/20 0.46
STIM1 Q13586 2/20 0.46
ORAI1 Q96D31 2/20 0.46
ORAI3 Q9BRQ5 1/20 0.46
CYP1A2 P05177 1/20 0.46
IL2 P60568 1/20 0.44
TLR7 Q9NYK1 2/20 0.44
ITGB1 P05556 1/20 0.43
ITGA4 P13612 1/20 0.43
CRACR2A Q9BSW2 1/20 0.43
TSHR P16473 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
HTT P42858 1/20 0.42
NOD2 Q9HC29 1/20 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
SCHEMBL14887752 0.93 RAB9A (0.47) RAB9ANPC1TP53SMN1; SMN2TRPA1
SCHEMBL16017334 0.92 ITGB1 (0.45) RAB9ANPC1TP53SMN1; SMN2TRPA1
SCHEMBL16019800 0.92 HDAC3 (0.41) RAB9ANPC1TP53SMN1; SMN2TRPA1
SCHEMBL14887750 0.89 RAB9A (0.48) RAB9ANPC1TP53SMN1; SMN2TRPA1
SCHEMBL16019804 0.89 HDAC3 (0.43) SMN1; SMN2STIM1ORAI1ORAI3CRACR2A
SCHEMBL16017293 0.89 HTT (0.46) RAB9ANPC1SMN1; SMN2TRPA1HTT
SCHEMBL16017268 0.88 ITGB1 (0.50) RAB9ANPC1TP53SMN1; SMN2TRPA1
SCHEMBL16017328 0.87 LMNA (0.54) RAB9ANPC1TP53SMN1; SMN2HTT
SCHEMBL16017298 0.86 TRPA1 (0.43) RAB9ANPC1TP53SMN1; SMN2TRPA1
SCHEMBL14887772 0.85 SCN8A (0.40) RAB9ANPC1TP53SMN1; SMN2TRPA1

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 1174/4885NPC1 262/4885TP53 2681/4885

“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.