SCHEMBL1952191

SCHEMBL1952191

O=C(Nc1scc(-c2ccc3c(c2)CCC3)c1C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.59
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
LMNA P02545 2/20 0.59
NPSR1 Q6W5P4 2/20 0.59
MEN1 O00255 9/20 0.50
KMT2A Q03164 9/20 0.50
TP53 P04637 7/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ESR1 P03372 1/20 0.50
HPGD P15428 1/20 0.50
CASP3 P42574 1/20 0.50
ESR2 Q92731 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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
SCHEMBL2181409 0.86 MEN1 (0.54) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1908259 0.83 MEN1 (0.43) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL12830972 0.83 NPC1 (0.59) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL21247388 0.83 MEN1 (0.58) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1907084 0.83 MEN1 (0.58) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL2186394 0.81 MEN1 (0.49) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL2183206 0.81 MEN1 (0.49) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL1953050 0.81 NPC1 (0.54) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL21247668 0.81 MEN1 (0.58) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL12434637 0.81 MEN1 (0.54) SMN1; SMN2RAB9ANPC1NFKB1NFKB2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-20130245025-A1 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-19 US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
US-8394848-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-03-12 US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 US disclosed
US-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-09-01 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-06-09 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-7906553-B2 Substituted thiophene modulators of intracellular calcium CALCIMEDICA, INC. (US) 2011-03-15 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
US-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-10-14 US disclosed
WO-2010027875-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2010-03-11 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 (4 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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885RAB9A 1174/4885NPC1 262/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885RAB9A 1174/4885NPC1 262/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885RAB9A 1174/4885NPC1 262/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 SMN1; SMN2 854/4885RAB9A 1174/4885NPC1 262/4885

“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.