SCHEMBL12155603

SCHEMBL12155603

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 1/20 0.43
▸ RAB9A P51151 11/20 0.42
▸ NPC1 O15118 10/20 0.42
▸ SMN1; SMN2 Q16637 9/20 0.42
▸ MAPT P10636 5/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ ANO1 Q5XXA6 2/20 0.39
▸ ANO2 Q9NQ90 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39

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
SCHEMBL12156212 0.93 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12155615 0.92 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12155497 0.90 ABL1 (0.43) IL2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12155501 0.90 NPC1 (0.43) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12241418 0.90 NPC1 (0.52) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12155495 0.89 DEGS1 (0.41) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12156251 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12241432 0.88 SMN1; SMN2 (0.38) IL2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL12156252 0.87 ABCB1 (0.53) RAB9ANPC1SMN1; SMN2MAPTNPSR1
SCHEMBL12155617 0.86 RAB9A (0.43) IL2RAB9ANPC1SMN1; SMN2MAPT

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 IL2 3716/4885RAB9A 1174/4885NPC1 262/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 IL2 3716/4885RAB9A 1174/4885NPC1 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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