SCHEMBL12756716

SCHEMBL12756716

O=C(/C=C/c1ccco1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 15/20 0.56
▸ KMT2A Q03164 15/20 0.56
▸ RAB9A P51151 12/20 0.56
▸ NPC1 O15118 10/20 0.56
▸ L3MBTL1 Q9Y468 9/20 0.56
▸ TDP1 Q9NUW8 7/20 0.56
▸ RECQL P46063 6/20 0.56
▸ SMN1; SMN2 Q16637 8/20 0.55
▸ POLB P06746 8/20 0.55
▸ MAPT P10636 8/20 0.55
▸ KDM4E B2RXH2 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ BLM P54132 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ APEX1 P27695 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HPGD P15428 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 2/20 0.47

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
SCHEMBL12756720 0.90 MEN1 (0.68) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL12756723 0.90 MEN1 (0.59) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL12830153 0.84 TRPA1 (0.56) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL1893060 0.81 KMT2A (0.84) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL1893062 0.81 KMT2A (0.84) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL12756510 0.79 RAB9A (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12830154 0.79 TRPA1 (0.43) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL12829852 0.79 TRPA1 (0.54) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12830156 0.78 TRPM2 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL12756721 0.75 NTRK1 (0.49) MEN1KMT2ARAB9ANPC1TDP1

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 4706/4885RAB9A 1174/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885RAB9A 1174/4885

“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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