SCHEMBL12155946

SCHEMBL12155946

O=C(Nc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1)c1sc2ccccc2c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.59
▸ KMT2A Q03164 3/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ PPARG P37231 1/20 0.59
▸ NCOA2 Q15596 1/20 0.59
▸ NCOA1 Q15788 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ NCOA3 Q9Y6Q9 1/20 0.59
▸ F10 P00742 5/20 0.51
▸ HPGD P15428 3/20 0.51
▸ PRSS12 P56730 3/20 0.51
▸ STIM1 Q13586 3/20 0.50
▸ ORAI1 Q96D31 3/20 0.50
▸ MAPT P10636 5/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ MEN1 O00255 2/20 0.48

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
SCHEMBL12155519 0.82 STIM1 (0.57) NPC1RAB9ASMN1; SMN2KMT2AF10
SCHEMBL12241953 0.81 STIM1 (0.50) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL1702332 0.81 STIM1 (0.56) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL16018228 0.81 STIM1 (0.49) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL12155457 0.80 STIM1 (0.60) NPC1RAB9ASMN1; SMN2NPSR1STIM1
SCHEMBL1702247 0.79 STIM1 (0.62) NPC1RAB9ASMN1; SMN2KMT2ASTIM1
SCHEMBL12155556 0.79 STIM1 (0.54) NPC1RAB9ASMN1; SMN2F10STIM1
SCHEMBL16018139 0.79 STIM1 (0.49) NPC1RAB9ASMN1; SMN2KMT2ACYP1A2
SCHEMBL12155449 0.79 STIM1 (0.57) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL12155464 0.79 STIM1 (0.53) NPC1RAB9ASMN1; SMN2KMT2AF10

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 11 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-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 (4 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 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885SMN1; SMN2 854/4885
US-20110263612-A1 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.

Send feedback