SCHEMBL12156180

SCHEMBL12156180

O=C(Nc1ccc(-c2c(C(F)(F)F)oc3c2CCC3)cn1)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ GAA P10253 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ GLA P06280 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ABL1 P00519 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MAPT P10636 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 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
SCHEMBL12155977 0.98 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12156182 0.90 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12156179 0.89 IL2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL12241298 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12156186 0.87 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12241303 0.87 IL2 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL12241319 0.86 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12156194 0.85 IL2 (0.39) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL12241304 0.85 SMN1; SMN2 (0.44) NPC1RAB9ASMN1; SMN2GAATP53
SCHEMBL12241309 0.84 NPC1 (0.56) NPC1RAB9ASMN1; SMN2GAATP53

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 — — US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 — — US disclosed
EP-2563776-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2016-06-08 — — EP disclosed
US-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-11-12 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-9120751-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-09-01 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8980629-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-03-17 — — US disclosed
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 — — US disclosed
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — US disclosed
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-10-27 — — 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 (4 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-20150322012-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; 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.

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