SCHEMBL12756341

SCHEMBL12756341

Cc1cccc2nc(C(=O)Nc3csc(-c4ccc(Cl)cc4)c3C(=O)O)oc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
ANO1 Q5XXA6 8/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 2/20 0.35
FAAH O00519 1/20 0.35
CETP P11597 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MCL1 Q07820 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
SCHEMBL12830015 0.89 ANO1 (0.39) DHODHANO1KDM4EHTTMEN1
SCHEMBL12756363 0.89 ANO1 (0.39) DHODHANO1KDM4EMEN1KMT2A
SCHEMBL12756322 0.87 ANO1 (0.38) DHODHANO1KDM4EGAAHTT
SCHEMBL12756328 0.85 ANO1 (0.37) DHODHANO1KDM4EGAAHTT
SCHEMBL12830017 0.84 KDM4E (0.45) ANO1KDM4EHTTL3MBTL1MEN1
SCHEMBL1952820 0.83 ANO1 (0.59) ANO1MEN1KMT2A
SCHEMBL12831071 0.81 MAPT (0.43) ANO1KDM4EGAAMEN1KMT2A
SCHEMBL12830142 0.80 DHODH (0.42) DHODHANO1GAAMAPT
SCHEMBL12830141 0.80 DHODH (0.42) DHODHANO1GAAMEN1KMT2A
SCHEMBL12756323 0.79 MEN1 (0.36) DHODHANO1MEN1KMT2AMAPT

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 DHODH 2153/4885ANO1 114/4885KDM4E 4057/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 DHODH 2153/4885ANO1 114/4885KDM4E 4057/4885

“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.