SCHEMBL16019812

SCHEMBL16019812

Cc1cc2c(cc1-c1ccc(NC(=O)c3c4c(nn3C)CCCC4)cc1)OC(F)(F)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ STIM1 Q13586 2/20 0.39
▸ ORAI1 Q96D31 2/20 0.39
▸ IL2 P60568 5/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ NTRK1 P04629 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LCK P06239 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL16019811 0.91 MAPT (0.38) MAPTPOLBTDP1L3MBTL1STIM1
SCHEMBL16020536 0.89 STIM1 (0.48) MAPTPOLBTDP1L3MBTL1STIM1
SCHEMBL16017286 0.82 SCN9A (0.38) MAPTSTIM1ORAI1IL2SCN9A
SCHEMBL16009312 0.82 ALDH1A1 (0.46) MAPTPOLBSTIM1ORAI1IL2
SCHEMBL16020538 0.82 STIM1 (0.47) MAPTPOLBTDP1L3MBTL1STIM1
SCHEMBL14885579 0.80 STIM1 (0.47) MAPTPOLBTDP1L3MBTL1STIM1
SCHEMBL14881331 0.79 ALDH1A1 (0.45) MAPTPOLBL3MBTL1STIM1ORAI1
SCHEMBL14881324 0.78 HTT (0.52) MAPTTDP1STIM1ORAI1ALDH1A1
SCHEMBL16017216 0.76 STIM1 (0.40) MAPTL3MBTL1STIM1ORAI1IL2
SCHEMBL16017194 0.76 STIM1 (0.40) L3MBTL1STIM1ORAI1IL2SCN9A

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 MAPT 1478/4885POLB 4774/4885TDP1 3096/4885

“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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