SCHEMBL12155451

SCHEMBL12155451

O=C(Nc1ccc(-c2cc3c(cc2Br)OCO3)cn1)c1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH2 P05091 1/20 0.44
▸ RAB9A P51151 8/20 0.43
▸ MAPT P10636 5/20 0.43
▸ NPC1 O15118 7/20 0.43
▸ SMN1; SMN2 Q16637 6/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ DEGS1 O15121 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 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
SCHEMBL12155520 0.93 L3MBTL1 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12241926 0.90 ALDH2 (0.46) ALDH2RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL12155769 0.88 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2DEGS1ALDH1A1
SCHEMBL1702038 0.87 SMN1; SMN2 (0.52) RAB9AMAPTNPC1SMN1; SMN2NPSR1
SCHEMBL12156208 0.87 NPC1 (0.44) RAB9AMAPTNPC1SMN1; SMN2NPSR1
SCHEMBL12155626 0.87 NPC1 (0.43) RAB9AMAPTNPC1SMN1; SMN2NPSR1
SCHEMBL12156250 0.84 SMN1; SMN2 (0.47) RAB9AMAPTNPC1SMN1; SMN2NPSR1
SCHEMBL12241425 0.84 PDCD1 (0.47) RAB9AMAPTNPC1SMN1; SMN2NPSR1
SCHEMBL12156237 0.83 NPC1 (0.43) RAB9AMAPTNPC1SMN1; SMN2NPSR1
SCHEMBL12155617 0.83 RAB9A (0.43) RAB9AMAPTNPC1SMN1; SMN2NPSR1

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 ALDH2 1786/4885RAB9A 1174/4885MAPT 1478/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 ALDH2 1786/4885RAB9A 1174/4885MAPT 1478/4885

“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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