SCHEMBL12155501

SCHEMBL12155501

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1cc(F)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 8/20 0.43
▸ RAB9A P51151 8/20 0.43
▸ ANO1 Q5XXA6 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ABCB1 P08183 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ TP53 P04637 2/20 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
SCHEMBL12156251 0.92 RAB9A (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12155603 0.90 IL2 (0.43) NPC1RAB9AANO1ALDH1A1MEN1
SCHEMBL12156214 0.89 JAK2 (0.45) ANO1ALDH1A1MEN1KMT2AHTT
SCHEMBL12155497 0.88 ABL1 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL12155615 0.88 RAB9A (0.48) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12155769 0.88 SMN1; SMN2 (0.49) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL12241929 0.87 CRHR1 (0.40) NPC1RAB9AANO1ALDH1A1MEN1
SCHEMBL12156212 0.87 SMN1; SMN2 (0.48) NPC1RAB9AANO1ALDH1A1KMT2A
SCHEMBL12156252 0.85 ABCB1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL12156250 0.85 SMN1; SMN2 (0.47) NPC1RAB9AALDH1A1KMT2ASMN1; SMN2

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 NPC1 262/4885RAB9A 1174/4885ANO1 114/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885ANO1 114/4885

“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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