SCHEMBL12241418

SCHEMBL12241418

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.52
▸ RAB9A P51151 6/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.52
▸ TP53 P04637 3/20 0.52
▸ GAA P10253 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ABL1 P00519 1/20 0.47
▸ HPGD P15428 1/20 0.45
▸ DYRK1A Q13627 3/20 0.42
▸ GSK3B P49841 2/20 0.42
▸ WNT1 P04628 1/20 0.42
▸ MAPT P10636 5/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ HTT P42858 1/20 0.42

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
SCHEMBL12155512 0.92 MAPT (0.43) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12156250 0.91 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12241426 0.90 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12155618 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12155615 0.90 RAB9A (0.48) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12155603 0.90 IL2 (0.43) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12156212 0.89 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL1702038 0.88 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12155613 0.88 IL2 (0.43) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12156207 0.88 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2TP53GAA

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 8 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
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 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

“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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