SCHEMBL12155520

SCHEMBL12155520

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1c(F)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ TP53 P04637 1/20 0.45
▸ IL2 P60568 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ STIM1 Q13586 2/20 0.44
▸ ORAI1 Q96D31 2/20 0.44
▸ ORAI2 Q96SN7 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ RORC P51449 3/20 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
SCHEMBL12155451 0.93 ALDH2 (0.44) L3MBTL1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL1702038 0.93 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL17805384 0.89 STIM1 (0.40) L3MBTL1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL12156250 0.87 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53KMT2A
SCHEMBL12155931 0.87 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL12155513 0.86 NPC1 (0.42) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL12156237 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL12155617 0.85 RAB9A (0.43) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL12155512 0.84 MAPT (0.43) NPC1RAB9ASMN1; SMN2TP53IL2
SCHEMBL12241418 0.84 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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 L3MBTL1 3943/4885NPC1 262/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 L3MBTL1 3943/4885NPC1 262/4885RAB9A 1174/4885

“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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