SCHEMBL12155931

SCHEMBL12155931

O=C(Nc1ccc(-c2cc3c(cc2Br)OCCO3)cn1)c1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ TP53 P04637 2/20 0.52
▸ STIM1 Q13586 2/20 0.50
▸ ORAI1 Q96D31 2/20 0.50
▸ IL2 P60568 7/20 0.49
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PDCD1 Q15116 2/20 0.42
▸ CD274 Q9NZQ7 2/20 0.42
▸ ORAI2 Q96SN7 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41

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
SCHEMBL1702038 0.94 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12156230 0.90 IL2 (0.47) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12241658 0.90 IL2 (0.47) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12155649 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12156206 0.87 STIM1 (0.54) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155891 0.87 STIM1 (0.66) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12155520 0.87 L3MBTL1 (0.47) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12156237 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL12155617 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53STIM1
SCHEMBL2588687 0.84 NPC1 (0.66) NPC1RAB9ASMN1; SMN2TP53STIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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-20110263612-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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