SCHEMBL12156207

SCHEMBL12156207

O=C(Nc1ccc(-c2cc3c(cc2Br)OC(F)(F)O3)cn1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ABL1 P00519 1/20 0.47
▸ STIM1 Q13586 4/20 0.47
▸ ORAI1 Q96D31 4/20 0.47
▸ ORAI2 Q96SN7 1/20 0.44
▸ THRB P10828 2/20 0.43
▸ DYRK1A Q13627 3/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ POLB P06746 1/20 0.42

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
SCHEMBL12155944 0.89 STIM1 (0.46) SMN1; SMN2NPC1RAB9AGAAALDH1A1
SCHEMBL12156206 0.88 STIM1 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1ABL1
SCHEMBL12241418 0.88 NPC1 (0.52) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL1701825 0.88 STIM1 (0.62) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL1702247 0.88 STIM1 (0.62) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL15983160 0.86 MEN1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TP53
SCHEMBL12155464 0.82 STIM1 (0.53) SMN1; SMN2NPC1RAB9AKDM4ETP53
SCHEMBL12241474 0.82 NPC1 (0.53) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL12241657 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AGAAKDM4E
SCHEMBL1701188 0.82 NPC1 (0.48) SMN1; SMN2NPC1RAB9AGAAKDM4E

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 SMN1; SMN2 854/4885NPC1 262/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 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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