SCHEMBL1490500

SCHEMBL1490500

O=C(Nc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1cccc(F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
SUCNR1 Q9BXA5 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
ANO1 Q5XXA6 6/20 0.46
ANO2 Q9NQ90 1/20 0.46
KCNK3 O14649 1/20 0.44
TP53 P04637 1/20 0.44
SERPINE1 P05121 1/20 0.44
KCNQ3 O43525 1/20 0.44

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
SCHEMBL1490428 0.90 MEN1 (0.52) MEN1KMT2APOLBMAPTNPC1
SCHEMBL12830927 0.90 KCNMA1 (0.52) MEN1KMT2APOLBMAPTNPC1
SCHEMBL1490514 0.89 MEN1 (0.48) MEN1KMT2APOLBMAPTNPC1
SCHEMBL1490346 0.89 MEN1 (0.50) MEN1KMT2APOLBMAPTNPC1
SCHEMBL1490367 0.89 MEN1 (0.50) MEN1KMT2APOLBMAPTNPC1
SCHEMBL12830916 0.87 KCNQ3 (0.57) MEN1KMT2APOLBMAPTNPC1
SCHEMBL12756545 0.87 ANO1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1490518 0.87 HDAC2 (0.50) MEN1KMT2APOLBMAPTNPC1
SCHEMBL1490439 0.87 CASP3 (0.53) MEN1KMT2APOLBMAPTNPC1
SCHEMBL12830941 0.87 GRIK1 (0.58) MEN1KMT2APOLBMAPTALDH1A1

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 6 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
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP 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 MEN1 2958/4885KMT2A 4706/4885POLB 4774/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885POLB 4774/4885

“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.