SCHEMBL12181665

SCHEMBL12181665

Cc1cc2[nH]ncc2cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.59
▸ IL2 P60568 8/20 0.57
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ DDR2 Q16832 4/20 0.52
▸ MAP4K4 O95819 2/20 0.51
▸ ROCK1 Q13464 2/20 0.51
▸ DYRK3 O43781 1/20 0.51
▸ ROCK2 O75116 1/20 0.51
▸ RPS6KB1 P23443 1/20 0.51
▸ CLK2 P49760 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ DYRK1A Q13627 1/20 0.51
▸ CLK4 Q9HAZ1 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ CDK1 P06493 1/20 0.51
▸ CCNB1 P14635 1/20 0.51
▸ CCNA2 P20248 1/20 0.51

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
SCHEMBL12181639 0.97 MAOB (0.58) MAOBIL2NPC1RAB9AHPGD
SCHEMBL15164974 0.85 NPC1 (0.67) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12155894 0.84 IL2 (0.55) MAOBIL2NPC1RAB9AHPGD
SCHEMBL12181640 0.82 STIM1 (0.55) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL5021897 0.81 NPC1 (0.67) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL15171095 0.80 NPC1 (0.69) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL15171128 0.79 STIM1 (0.54) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL15164972 0.77 NPC1 (0.67) MAOBNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1828207 0.77 IL2 (0.63) IL2NPC1RAB9ASMN1; SMN2
SCHEMBL15171093 0.76 MAOB (0.54) MAOBNPC1RAB9AHPGDSMN1; SMN2

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
EP-2563759-B1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC (US) 2022-04-06 — — EP disclosed
US-9353099-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2016-05-31 — — US disclosed
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2015-12-17 — — US disclosed
US-9090612-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2015-07-28 — — US disclosed
US-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-08-28 — — US disclosed
US-8754219-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2014-06-17 — — US disclosed
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-08-08 — — US disclosed
WO-2011139765-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 (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-20140243366-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAOB 3605/4885IL2 3716/4885NPC1 262/4885
US-20130203818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAOB 3605/4885IL2 3716/4885NPC1 262/4885
US-20150361075-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MAOB 3605/4885IL2 3716/4885NPC1 262/4885

“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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