SCHEMBL12756445

SCHEMBL12756445

COc1cc(F)c(-c2scc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.55
▸ NPC1 O15118 8/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ KDM4E B2RXH2 6/20 0.53
▸ HSD17B10 Q99714 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ TSHR P16473 4/20 0.52
▸ TP53 P04637 2/20 0.52
▸ KMT2A Q03164 7/20 0.51
▸ CACNA1B Q00975 4/20 0.51
▸ APBA1 Q02410 4/20 0.51
▸ TAAR1 Q96RJ0 1/20 0.51
▸ MEN1 O00255 4/20 0.49

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
SCHEMBL12756430 0.88 RAB9A (0.55) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12830138 0.86 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12830969 0.86 NPC1 (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12756438 0.85 RAB9A (0.56) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL1954625 0.85 RAB9A (0.51) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12830115 0.84 NPC1 (0.51) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12756437 0.84 NPC1 (0.51) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12756434 0.84 KDM4E (0.53) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12756440 0.83 RAB9A (0.53) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL12756433 0.83 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 — — US disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 — — 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885L3MBTL1 3943/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885L3MBTL1 3943/4885

“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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