SCHEMBL12156252

SCHEMBL12156252

COc1ccc(F)cc1C(=O)Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 3/20 0.53
▸ NPC1 O15118 12/20 0.46
▸ RAB9A P51151 10/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ ABCC1 P33527 2/20 0.46
▸ RXFP1 Q9HBX9 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MITF O75030 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 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
SCHEMBL12156211 0.90 RAB9A (0.55) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12155497 0.87 ABL1 (0.43) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12155603 0.87 IL2 (0.43) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12155615 0.87 RAB9A (0.48) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12155501 0.85 NPC1 (0.43) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12241435 0.85 RAB9A (0.47) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12156251 0.83 RAB9A (0.44) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL22509405 0.83 ABCB1 (0.43) ABCB1NPC1RAB9AMAPTTP53
SCHEMBL12241418 0.83 NPC1 (0.52) NPC1RAB9AMAPTTP53NPSR1
SCHEMBL12155613 0.82 IL2 (0.43) ABCB1NPC1RAB9AMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 ABCB1 1679/4885NPC1 262/4885RAB9A 1174/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ABCB1 1679/4885NPC1 262/4885RAB9A 1174/4885

“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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