SCHEMBL12756723

SCHEMBL12756723

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 15/20 0.59
▸ KMT2A Q03164 15/20 0.59
▸ MAPT P10636 8/20 0.59
▸ L3MBTL1 Q9Y468 8/20 0.59
▸ POLB P06746 7/20 0.59
▸ ALDH1A1 P00352 5/20 0.59
▸ HPGD P15428 3/20 0.59
▸ RAB9A P51151 12/20 0.56
▸ NPC1 O15118 10/20 0.56
▸ RECQL P46063 6/20 0.56
▸ TDP1 Q9NUW8 6/20 0.56
▸ SMN1; SMN2 Q16637 7/20 0.55
▸ KDM4E B2RXH2 5/20 0.55
▸ BLM P54132 2/20 0.55
▸ PKM P14618 1/20 0.55
▸ APEX1 P27695 1/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 4/20 0.52
▸ HTT P42858 3/20 0.52
▸ MAPK1 P28482 1/20 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
SCHEMBL12756716 0.90 MEN1 (0.56) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL12756720 0.90 MEN1 (0.68) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL12830151 0.84 TRPA1 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12271549 0.81 KMT2A (0.84) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL12830155 0.81 TRPA1 (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL12830005 0.79 TAS2R14 (0.50) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL12756514 0.79 NPC1 (0.53) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL12830152 0.79 TRPA1 (0.43) MEN1KMT2AMAPTL3MBTL1POLB
SCHEMBL12830158 0.78 GAA (0.49) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL12756722 0.75 NTRK1 (0.49) MEN1KMT2AMAPTPOLBALDH1A1

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 4706/4885MAPT 1478/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885MAPT 1478/4885

“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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