SCHEMBL2181760

SCHEMBL2181760

Cc1csc(-c2csc(NC(=O)c3cc4ccccc4o3)c2C(=O)O)n1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.63
▸ NPC1 O15118 12/20 0.63
▸ MEN1 O00255 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ GLA P06280 1/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ TP53 P04637 5/20 0.49
▸ PKM P14618 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ CSNK2A2 P19784 1/20 0.48
▸ CSNK2B P67870 1/20 0.48
▸ CSNK2A1 P68400 1/20 0.48
▸ CSNK2A3 Q8NEV1 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ GAA P10253 1/20 0.48

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
SCHEMBL2182904 0.85 MEN1 (0.55) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7963500 0.85 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14692952 0.84 MEN1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1953050 0.84 NPC1 (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7945263 0.84 RAB9A (0.53) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1951399 0.83 RAB9A (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL1907052 0.83 RAB9A (0.54) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2180111 0.83 RAB9A (0.52) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2181206 0.83 MEN1 (0.56) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL12830048 0.83 RAB9A (0.62) RAB9ANPC1MEN1KMT2AGLA

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 13 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-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-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
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 262/4885MEN1 2958/4885
US-20110166159-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MEN1 2958/4885
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 RAB9A 1174/4885NPC1 262/4885MEN1 2958/4885

“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.

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