SCHEMBL16019783

SCHEMBL16019783

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccc(-c3cc4c(cc3C)OC(F)(F)O4)cc2)s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ AHR P35869 1/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAPT P10636 6/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ F2 P00734 2/20 0.38
▸ F10 P00742 2/20 0.38
▸ PRSS1 P07477 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 2/20 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
SCHEMBL16019775 0.90 GAA (0.46) GAAMEN1KMT2AAHRRAB9A
SCHEMBL16017275 0.88 RAB9A (0.53) MEN1KMT2AAHRRAB9ARECQL
SCHEMBL16020535 0.81 STIM1 (0.49) GAAMEN1KMT2AMAPTSTIM1
SCHEMBL14881567 0.79 STIM1 (0.46) GAAMEN1KMT2AAHRRAB9A
SCHEMBL14517971 0.79 MAPT (0.42) GAAMEN1KMT2AMAPTSCN9A
SCHEMBL16019793 0.78 DGAT1 (0.49) SCN9ASTIM1ORAI1ALDH1A1
SCHEMBL16017203 0.78 RAB9A (0.51) MEN1KMT2AAHRRAB9ARECQL
SCHEMBL16017208 0.78 MEN1 (0.56) GAAMEN1KMT2ARAB9ARECQL
SCHEMBL14881337 0.78 LMNA (0.53) GAAMEN1KMT2ARAB9ASCN9A
SCHEMBL14881327 0.78 KMT2A (0.47) KMT2ASCN9ASTIM1ORAI1

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 GAA 994/4885MEN1 2958/4885KMT2A 4706/4885

“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.

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