SCHEMBL12155968

SCHEMBL12155968

Cc1c(-c2ccc(NC(=O)c3ccccc3F)nc2)cc2c(c1F)CCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ TP53 P04637 3/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ABL1 P00519 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.49
▸ STIM1 Q13586 1/20 0.48
▸ ORAI1 Q96D31 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ DYRK1A Q13627 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46

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
SCHEMBL12155978 0.93 NPC1 (0.50) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL12155961 0.89 IL2 (0.52) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL12156132 0.88 STIM1 (0.61) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL12155687 0.87 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL12155966 0.85 STIM1 (0.44) RAB9ANPC1ALDH1A1ABL1STIM1
SCHEMBL12155965 0.82 ABL1 (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL12241694 0.82 SMN1; SMN2 (0.59) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL1702049 0.81 RAB9A (0.61) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL12241725 0.80 NPC1 (0.44) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL12155973 0.80 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (3 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 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMN1; 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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