SCHEMBL16017306

SCHEMBL16017306

Cc1cc(F)c(C(=O)Nc2ccc(Cc3cc(F)ccc3C(F)(F)F)c(F)c2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPA1 O75762 3/20 0.39
P2RX7 Q99572 1/20 0.38
POLB P06746 1/20 0.38
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
SCN8A Q9UQD0 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL16017293 0.93 HTT (0.46) HTTLMNASMN1; SMN2MAPTMEN1
SCHEMBL14887772 0.92 SCN8A (0.40) HTTLMNASMN1; SMN2MAPTNPC1
SCHEMBL16017273 0.89 HTT (0.46) HTTLMNASMN1; SMN2MAPTMEN1
SCHEMBL14887752 0.89 RAB9A (0.47) HTTSMN1; SMN2NPC1RAB9ATRPA1
SCHEMBL16017330 0.88 SMN1; SMN2 (0.45) HTTLMNASMN1; SMN2MAPTMEN1
SCHEMBL16020161 0.87 KCNQ3 (0.42) HTTLMNASMN1; SMN2SCN8ASCN10A
SCHEMBL16017298 0.86 TRPA1 (0.43) HTTLMNASMN1; SMN2MAPTNPC1
SCHEMBL16019800 0.85 HDAC3 (0.41) HTTLMNASMN1; SMN2MAPTNPC1
SCHEMBL16017270 0.83 HTT (0.43) HTTLMNASMN1; SMN2MAPTMEN1
SCHEMBL16017294 0.82 SMN1; SMN2 (0.44) HTTLMNASMN1; SMN2MEN1KMT2A

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 HTT 809/4885LMNA 1306/4885SMN1; SMN2 854/4885

“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.