SCHEMBL12830033

SCHEMBL12830033

O=C(O)c1c(NC(=O)C(Cc2ccccc2)n2cnnn2)csc1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F9 P00740 2/20 0.42
▸ F11 P03951 8/20 0.39
▸ KLK1 P06870 5/20 0.39
▸ HDAC8 Q9BY41 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ POLB P06746 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
SCHEMBL1894210 0.84 ANO1 (0.51) MEN1KMT2A
SCHEMBL12756682 0.80 PPARG (0.41) MALT1TP53MAPTMEN1KMT2A
SCHEMBL12756673 0.79 MEN1 (0.44) MAPK1L3MBTL1MAPTMEN1KMT2A
SCHEMBL1493891 0.79 ANO1 (0.39) MALT1TP53MAPTMEN1KMT2A
SCHEMBL12756663 0.76 ANO1 (0.38) MALT1TP53MAPTMEN1KMT2A
SCHEMBL12830003 0.73 TP53 (0.49) TP53MAPTMEN1KMT2APOLB
SCHEMBL12756632 0.73 LMNA (0.50) MALT1MAPK1L3MBTL1MEN1KMT2A
SCHEMBL12830007 0.72 CNR1 (0.57) MAPTMEN1KMT2A
SCHEMBL1490453 0.72 KCNQ2 (0.42) L3MBTL1MAPTMEN1KMT2APOLB
SCHEMBL12830739 0.71 ANO1 (0.43) MAPTMEN1KMT2A

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 3 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
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 F9 4819/4885F11 4754/4885KLK1 4851/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 F9 4819/4885F11 4754/4885KLK1 4851/4885

“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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