SCHEMBL12756720

SCHEMBL12756720

Cc1ccc(-c2scc(NC(=O)/C=C/c3ccco3)c2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 14/20 0.68
▸ KMT2A Q03164 14/20 0.68
▸ SMN1; SMN2 Q16637 10/20 0.68
▸ RAB9A P51151 9/20 0.68
▸ NPC1 O15118 9/20 0.68
▸ L3MBTL1 Q9Y468 9/20 0.68
▸ POLB P06746 9/20 0.68
▸ MAPT P10636 8/20 0.68
▸ TDP1 Q9NUW8 5/20 0.68
▸ RECQL P46063 5/20 0.68
▸ ALDH1A1 P00352 5/20 0.68
▸ KDM4E B2RXH2 4/20 0.68
▸ PKM P14618 1/20 0.68
▸ BLM P54132 1/20 0.68
▸ NPSR1 Q6W5P4 3/20 0.55
▸ APEX1 P27695 1/20 0.53
▸ HPGD P15428 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52

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
SCHEMBL12756723 0.90 MEN1 (0.59) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12756716 0.90 MEN1 (0.56) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1892078 0.81 KMT2A (1.00) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1892079 0.81 KMT2A (1.00) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12830157 0.75 MAPT (0.62) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL6848556 0.74 RAB9A (0.74) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12830151 0.73 TRPA1 (0.56) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL12830153 0.73 TRPA1 (0.56) MEN1KMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL1490816 0.72 MAPT (0.58) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL6541745 0.72 KMT2A (0.74) MEN1KMT2ASMN1; SMN2RAB9ANPC1

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 MEN1 2958/4885KMT2A 4706/4885SMN1; SMN2 854/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885SMN1; 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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