SCHEMBL7959538

SCHEMBL7959538

CCn1ccc(-c2csc(NC(=O)CCc3ccccc3)c2C(=O)O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
POLB P06746 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
BLM P54132 1/20 0.39
UBE2I P63279 1/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12756791 0.82 MEN1 (0.41) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL12414172 0.80 HDAC1 (0.36) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL14692940 0.77 CASP3 (0.59) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL7955577 0.76 MEN1 (0.47) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7945412 0.76 LMNA (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1954783 0.74 HCAR2 (0.57) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL3622257 0.74 SMN1; SMN2 (0.52) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL1954102 0.73 ANO1 (0.61) KMT2AMEN1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL1954819 0.73 MEN1 (0.56) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL7955092 0.73 KMT2A (0.52) RAB9ANPC1KMT2AMEN1POLB

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 9 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-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-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-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-07-07 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
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 RAB9A 1174/4885NPC1 262/4885KMT2A 4706/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885KMT2A 4706/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885KMT2A 4706/4885

“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.