SCHEMBL12155667

SCHEMBL12155667

O=C(Nc1ccc(-c2cc3c(cc2Cl)OCCO3)cn1)c1c(F)cncc1F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.48
▸ RAB9A P51151 7/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ STIM1 Q13586 5/20 0.43
▸ ORAI1 Q96D31 5/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ IL2 P60568 2/20 0.41
▸ PDCD1 Q15116 1/20 0.40
▸ CD274 Q9NZQ7 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PKM P14618 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
SCHEMBL12155649 0.92 NPC1 (0.52) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155600 0.90 STIM1 (0.41) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155461 0.87 STIM1 (0.58) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155559 0.87 STIM1 (0.58) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155668 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155664 0.85 STIM1 (0.56) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12155651 0.84 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL16572569 0.83 STIM1 (0.42) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12156239 0.82 IL2 (0.47) NPC1RAB9ASMN1; SMN2STIM1ORAI1
SCHEMBL12156240 0.82 STIM1 (0.47) NPC1RAB9ASMN1; SMN2STIM1ORAI1

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 6 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-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
WO-2011139489-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-11-10 — — WO 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-10703722-B2 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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