SCHEMBL12831005

SCHEMBL12831005

O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1ccccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ANO1 Q5XXA6 10/20 0.53
▸ HPGD P15428 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ NOD1 Q9Y239 1/20 0.46
▸ SMO Q99835 1/20 0.46

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
SCHEMBL12756894 0.91 MEN1 (0.65) MEN1KMT2AANO1HPGDCYP1A2
SCHEMBL12831006 0.91 MEN1 (0.53) MEN1KMT2AANO1HPGDCYP1A2
SCHEMBL12756898 0.88 MEN1 (0.53) MEN1KMT2AANO1MAPTLMNA
SCHEMBL12756892 0.88 ANO1 (0.46) MEN1KMT2AANO1HPGDMAPT
SCHEMBL12756545 0.86 ANO1 (0.49) MEN1KMT2AANO1HPGDMAPT
SCHEMBL1490458 0.84 ANO1 (0.55) ANO1
SCHEMBL12756890 0.84 PPARG (0.56) MEN1KMT2AANO1MAPT
SCHEMBL1490373 0.84 KMT2A (0.52) MEN1KMT2AANO1HPGDMAPT
SCHEMBL1490509 0.83 KMT2A (0.55) MEN1KMT2AANO1HPGDMAPT
SCHEMBL12756773 0.83 MEN1 (0.52) MEN1KMT2AHPGDCYP1A2CYP2C19

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
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 — — WO 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 (1 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 4706/4885ANO1 114/4885

“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.

Send feedback