SCHEMBL16019840

SCHEMBL16019840

O=C(Nc1ccc(Cc2ccccc2C(F)(F)F)c(F)c1)c1c(F)cc(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 2/20 0.43
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTPRC P08575 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTGS1 P23219 1/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
TP53 P04637 1/20 0.39
TRPA1 O75762 2/20 0.39
CNR1 P21554 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 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) GRM4NPC1RAB9ASMN1; SMN2PTGS1
SCHEMBL16017273 0.91 HTT (0.46) GRM4LMNAMAPTMEN1KMT2A
SCHEMBL16019800 0.89 HDAC3 (0.41) GRM4LMNAMAPTNPC1RAB9A
SCHEMBL14887772 0.89 SCN8A (0.40) GRM4LMNAMAPTNPC1RAB9A
SCHEMBL16019838 0.89 GRM4 (0.44) GRM4LMNAMAPTMEN1KMT2A
SCHEMBL16019819 0.87 ITGB1 (0.44) GRM4LMNAMAPTNPC1RAB9A
SCHEMBL14887747 0.85 MEN1 (0.54) LMNAMAPTMEN1KMT2APTPRC
SCHEMBL14887582 0.84 GRM4 (0.40) GRM4LMNAHTT
SCHEMBL16017271 0.84 TRPA1 (0.43) GRM4LMNAMAPTNPC1RAB9A
SCHEMBL14887752 0.84 RAB9A (0.47) GRM4NPC1RAB9ASMN1; SMN2TP53

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 1 patent. 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

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 GRM4 1253/4885LMNA 1306/4885MAPT 1478/4885

“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.