SCHEMBL12756730

SCHEMBL12756730

O=C(Cc1cc2ccccc2o1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 3/20 0.44
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ DRD4 P21917 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ PSMB8 P28062 1/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL12756729 0.90 MMP2 (0.40) GLSKMT2AMEN1DRD2DRD4
SCHEMBL1951401 0.82 MEN1 (0.50) GLSKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL12756727 0.78 KMT2A (0.41) KMT2AMEN1DRD2DRD4DRD3
SCHEMBL12756715 0.76 LMNA (0.50) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL1490744 0.75 HDAC2 (0.47) KMT2AMEN1SMN1; SMN2KDM4EMAPT
SCHEMBL12756625 0.75 BRD4 (0.43) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL12756330 0.74 MEN1 (0.45) KMT2AMEN1SMN1; SMN2KDM4EMAPT
SCHEMBL7943824 0.73 CASP3 (0.48) KMT2AMEN1SMN1; SMN2LMNAMAPT
SCHEMBL12756721 0.73 NTRK1 (0.49) KMT2AMEN1SMN1; SMN2KDM4ELMNA
SCHEMBL1490461 0.73 NPC1 (0.57) KMT2AMEN1MAOBSMN1; 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 GLS 289/4885KMT2A 4706/4885MEN1 2958/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GLS 289/4885KMT2A 4706/4885MEN1 2958/4885

“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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