SCHEMBL12241435

SCHEMBL12241435

Cc1ccc(C(=O)Nc2ccc(-c3cc4c(cc3Br)OCO4)cn2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.47
▸ NPC1 O15118 11/20 0.47
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ GAA P10253 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ MAPT P10636 4/20 0.44
▸ SORT1 Q99523 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HPGD P15428 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ STIM1 Q13586 1/20 0.39
▸ ORAI1 Q96D31 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
SCHEMBL12155615 0.91 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12241423 0.88 NPC1 (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12241439 0.88 IL2 (0.44) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12241418 0.87 NPC1 (0.52) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12155618 0.85 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12155497 0.85 ABL1 (0.43) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL12155613 0.85 IL2 (0.43) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12155603 0.85 IL2 (0.43) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12156252 0.85 ABCB1 (0.53) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL12156212 0.84 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 RAB9A 1174/4885NPC1 262/4885SMN1; SMN2 854/4885
US-20110263612-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885SMN1; 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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