SCHEMBL12156048

SCHEMBL12156048

O=C(Nc1ccc(-c2cc3c(cc2Cl)CCC3)cn1)c1c(F)cccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ STIM1 Q13586 3/20 0.52
▸ ORAI1 Q96D31 3/20 0.52
▸ IL2 P60568 4/20 0.48
▸ ALDH1A1 P00352 2/20 0.47
▸ GFER P55789 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ORAI2 Q96SN7 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ CDC7 O00311 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CDK8 P49336 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
SCHEMBL12156302 0.88 IL2 (0.47) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL12241694 0.88 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL12241684 0.87 STIM1 (0.66) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL17244772 0.86 STIM1 (0.59) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL12155964 0.85 STIM1 (0.48) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL12156240 0.85 STIM1 (0.47) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL12156239 0.85 IL2 (0.47) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL1702137 0.84 LMNA (0.50) SMN1; SMN2NPC1RAB9ASTIM1ORAI1
SCHEMBL12156055 0.82 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL12241381 0.82 STIM1 (0.50) SMN1; SMN2NPC1RAB9ASTIM1ORAI1

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 8 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
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-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
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-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885NPC1 262/4885RAB9A 1174/4885
US-20200317617-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.

Send feedback