SCHEMBL12830005

SCHEMBL12830005

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS2R14 Q9NYV8 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ GLA P06280 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ L3MBTL1 Q9Y468 4/20 0.46
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ RECQL P46063 2/20 0.44
▸ MAPT P10636 7/20 0.43
▸ TDP1 Q9NUW8 5/20 0.42
▸ TP53 P04637 2/20 0.42
▸ BLM P54132 1/20 0.41
▸ POLB P06746 6/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40

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
SCHEMBL12829850 0.85 LMNA (0.47) KDM4EL3MBTL1MAPTTDP1TP53
SCHEMBL1951901 0.83 MEN1 (0.54) TAS2R14KDM4ESMN1; SMN2L3MBTL1CA12
SCHEMBL1951900 0.83 MEN1 (0.54) TAS2R14KDM4ESMN1; SMN2L3MBTL1CA12
SCHEMBL12756723 0.79 MEN1 (0.59) KDM4ESMN1; SMN2L3MBTL1RECQLMAPT
SCHEMBL12756514 0.75 NPC1 (0.53) KDM4ESMN1; SMN2MAPTTP53NPC1
SCHEMBL12756705 0.72 ANO1 (0.38) MAPTNPC1RAB9A
SCHEMBL12756722 0.71 NTRK1 (0.49) KDM4ESMN1; SMN2RECQLMAPTTDP1
SCHEMBL12829851 0.69 ANO1 (0.40) MEN1KMT2A
SCHEMBL12756716 0.69 MEN1 (0.56) KDM4ESMN1; SMN2L3MBTL1RECQLMAPT
SCHEMBL12756720 0.69 MEN1 (0.68) KDM4ESMN1; SMN2L3MBTL1RECQLMAPT

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 2 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-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 TAS2R14 4075/4885KDM4E 4057/4885GLA 2270/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TAS2R14 4075/4885KDM4E 4057/4885GLA 2270/4885

“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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