SCHEMBL12414151

SCHEMBL12414151

Cc1cc(-c2csc(NC(=O)c3scnc3C)c2C(=O)O)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ANO1 Q5XXA6 3/20 0.41
CRACR2A Q9BSW2 4/20 0.40
NAMPT P43490 1/20 0.38
KMT2A Q03164 7/20 0.38
MEN1 O00255 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
POLQ O75417 1/20 0.37
GRIN2C Q14957 1/20 0.37
PRNP P04156 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL2179899 0.85 LMNA (0.43) ANO1CRACR2AKMT2AMEN1NPC1
SCHEMBL12756788 0.82 PKM (0.40) KDM4EPKMCRACR2ANAMPTKMT2A
SCHEMBL2180308 0.79 ANO1 (0.45) ANO1KMT2AMEN1POLQ
SCHEMBL12414132 0.79 CASP3 (0.62) KDM4EPKMANO1KMT2AMEN1
SCHEMBL12414149 0.78 ANO1 (0.46) ANO1KMT2AMEN1NPC1
SCHEMBL2182245 0.78 CASP3 (0.50) KDM4EPKMANO1KMT2AMEN1
SCHEMBL12271357 0.75 MEN1 (0.67) ANO1KMT2AMEN1NPC1RAB9A
SCHEMBL14692945 0.74 ANO1 (0.52) KDM4EPKMANO1NAMPTKMT2A
SCHEMBL3260191 0.71 SMN1; SMN2 (0.43) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL14692953 0.70 SMN1; SMN2 (0.42) KDM4EPKMANO1NAMPTKMT2A

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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2013-09-05 US disclosed
US-8372991-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-12 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 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-20130231344-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885PKM 1872/4885ANO1 114/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885PKM 1872/4885ANO1 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.