SCHEMBL12155993

SCHEMBL12155993

Cc1ccccc1C(=O)Nc1cnc(-c2c(C)oc3ccccc23)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
TP53 P04637 2/20 0.49
MAPK1 P28482 2/20 0.49
HTT P42858 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPT P10636 3/20 0.45
CASP3 P42574 1/20 0.45
KMT2A Q03164 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CSF1R P07333 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 1/20 0.44
IL2 P60568 1/20 0.42
ATM Q13315 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1701444 0.90 IL2 (0.49) NPC1RAB9ATP53HTTALOX15
SCHEMBL1701395 0.89 SMN1; SMN2 (0.53) NPC1RAB9ATP53MAPTCASP3
SCHEMBL12241300 0.86 NPC1 (0.45) NPC1RAB9ATP53MAPK1HTT
SCHEMBL12155972 0.84 NPC1 (0.55) NPC1RAB9ATP53MAPK1HTT
SCHEMBL1701180 0.83 IL2 (0.51) NPC1RAB9ATP53MAPTCASP3
SCHEMBL12241321 0.81 NPC1 (0.47) NPC1RAB9ATP53MAPK1HTT
SCHEMBL12241311 0.81 NPC1 (0.47) NPC1RAB9ATP53MAPK1HTT
SCHEMBL1701150 0.76 SMN1; SMN2 (0.52) NPC1RAB9ATP53HTTALOX15
SCHEMBL12241301 0.74 SMN1; SMN2 (0.46) NPC1RAB9ATP53MAPTCASP3
SCHEMBL1701262 0.74 SMN1; SMN2 (0.59) NPC1RAB9ATP53MAPTCASP3

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 12 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
US-8546403-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-10-01 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 1174/4885TP53 2681/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885TP53 2681/4885

“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.