SCHEMBL1954653

SCHEMBL1954653

O=C(O)c1c(-c2ccc(Br)cc2)csc1NC(=O)n1cc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 12/20 0.56
MEN1 O00255 11/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 4/20 0.56
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
ANO1 Q5XXA6 5/20 0.50
TNF P01375 1/20 0.50
PRNP P04156 1/20 0.50
NOD2 Q9HC29 1/20 0.50
NOD1 Q9Y239 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SLC12A2 P55011 1/20 0.47
SLC12A5 Q9H2X9 1/20 0.47
NLRP3 Q96P20 1/20 0.47
ALDH1A1 P00352 2/20 0.47

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
SCHEMBL1895277 0.88 ANO1 (0.63) KMT2AMEN1ANO1
SCHEMBL1954654 0.81 CASP3 (0.56) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL12314172 0.79 MEN1 (0.80) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL1902778 0.76 NPC1 (0.58) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL3629424 0.76 MEN1 (0.88) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL3628324 0.76 CASP3 (0.59) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL1896255 0.76 MEN1 (0.57) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL1898570 0.75 MEN1 (0.53) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL1951848 0.74 MEN1 (0.56) KMT2AMEN1RAB9ANPC1CASP3
SCHEMBL3630632 0.74 MEN1 (0.84) KMT2AMEN1RAB9ANPC1CASP3

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 7 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-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-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-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

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 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885

“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.