SCHEMBL12241577

SCHEMBL12241577

[2H]C1([2H])Oc2cc(C)c(-c3cnc(NC(=O)c4ccc(C)cc4)cn3)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.48
▸ NPC1 O15118 8/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ STIM1 Q13586 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP1A2 P05177 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
SCHEMBL16572267 0.84 STIM1 (0.57) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL12241562 0.82 STIM1 (0.58) RAB9ANPC1SMN1; SMN2TP53STIM1
SCHEMBL12241560 0.82 IL2 (0.56) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL12241576 0.82 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL17049610 0.76 NPC1 (0.46) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL12156276 0.76 STIM1 (0.56) RAB9ANPC1SMN1; SMN2PKMSTIM1
SCHEMBL12241603 0.75 RAB9A (0.55) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL12155639 0.75 STIM1 (0.60) RAB9ANPC1SMN1; SMN2TP53NFKB1
SCHEMBL13730310 0.74 IL2 (0.47) RAB9ANPC1SMN1; SMN2TP53MAPT
SCHEMBL12155514 0.74 STIM1 (0.60) RAB9ANPC1SMN1; SMN2TP53STIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-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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