SCHEMBL7952093

SCHEMBL7952093

O=C(Nc1scc(-c2ccoc2)c1C(=O)O)c1nc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.48
KMT2A Q03164 10/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 2/20 0.48
USP2 O75604 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 2/20 0.44
NLRP3 Q96P20 1/20 0.44
GRIN2C Q14957 1/20 0.43
ANO1 Q5XXA6 5/20 0.42
NPC1 O15118 2/20 0.41
FAAH O00519 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL1894667 0.85 ANO1 (0.60) MEN1KMT2AANO1
SCHEMBL1953087 0.85 MEN1 (0.55) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL2183410 0.84 MEN1 (0.47) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL1897405 0.83 MEN1 (0.51) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL12271012 0.83 MEN1 (0.48) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL1951390 0.83 MEN1 (0.48) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL1896429 0.83 MEN1 (0.51) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL12319635 0.83 MEN1 (0.50) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL1894769 0.82 MEN1 (0.50) MEN1KMT2ATP53SMN1; SMN2PKM
SCHEMBL1907068 0.82 ANO1 (0.52) MEN1KMT2ATP53SMN1; SMN2PKM

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 8 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-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 US disclosed
WO-2010025295-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-04 WO 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 (3 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 MEN1 2958/4885KMT2A 4706/4885TP53 2681/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885TP53 2681/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885TP53 2681/4885

“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.