SCHEMBL12155564

SCHEMBL12155564

COc1ccccc1-c1cc(-c2ccc(NC(=O)c3sccc3C)nc2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ PKM P14618 1/20 0.48
▸ WNT3A P56704 1/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ F10 P00742 1/20 0.40
▸ FYN P06241 5/20 0.40
▸ ABCB1 P08183 2/20 0.38
▸ ABCC1 P33527 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ DUSP3 P51452 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ CDK9 P50750 1/20 0.38

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
SCHEMBL12155561 0.88 NPC1 (0.50) RAB9ANPC1PKMABL1F10
SCHEMBL12155570 0.81 IL2 (0.48) RAB9ANPC1WNT3AABL1FYN
SCHEMBL12155588 0.81 STIM1 (0.54) RAB9ANPC1ABL1ABCB1ABCC1
SCHEMBL22509396 0.81 CYP1A2 (0.41) FYNKMT2AKDM4EMEN1ALDH1A1
SCHEMBL12156019 0.78 MEN1 (0.47) RAB9ANPC1ABL1ABCB1ABCC1
SCHEMBL22509360 0.77 STIM1 (0.49) RAB9ANPC1ABL1F10KDM4E
SCHEMBL12156195 0.76 NPC1 (0.52) RAB9ANPC1ABL1F10KDM4E
SCHEMBL12241399 0.76 STIM1 (0.49) RAB9ANPC1ABL1F10KDM4E
SCHEMBL12156014 0.75 KMT2A (0.54) RAB9ANPC1ABL1ABCB1ABCC1
SCHEMBL12156011 0.74 IL2 (0.50) RAB9ANPC1ABL1ABCB1ABCC1

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-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 (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 262/4885PKM 1872/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885PKM 1872/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885PKM 1872/4885

“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