SCHEMBL12756718

SCHEMBL12756718

O=C(CCc1cccs1)Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ LMNA P02545 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ THRB P10828 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ATM Q13315 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL12756728 0.89 HDAC1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1490241 0.85 ALOX15 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1490370 0.85 HCAR2 (0.47) MEN1KMT2ASMN1; SMN2HDAC1HDAC6
SCHEMBL12756649 0.83 HCAR2 (0.43) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL12756646 0.83 ANO1 (0.45) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL12756722 0.83 NTRK1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1490454 0.82 HCAR2 (0.50) MEN1KMT2ASMN1; SMN2RAB9AALDH1A1
SCHEMBL12756667 0.82 POLB (0.40) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL2775889 0.81 ANO1 (0.58) MEN1KMT2AMAPT
SCHEMBL12756631 0.81 NPY5R (0.51) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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 MEN1 2958/4885KMT2A 4706/4885SMN1; SMN2 854/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885SMN1; SMN2 854/4885

“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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