SCHEMBL1951900

SCHEMBL1951900

N#C/C(=C\c1ccco1)C(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RECQL P46063 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ ANO1 Q5XXA6 12/20 0.51
▸ TAS2R14 Q9NYV8 1/20 0.50
▸ TP53 P04637 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ HTT P42858 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
SCHEMBL1951901 1.00 MEN1 (0.54) MEN1KMT2AL3MBTL1NPC1RECQL
SCHEMBL1952057 0.85 ANO1 (0.55) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL1952059 0.85 ANO1 (0.55) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL12830005 0.83 TAS2R14 (0.50) MEN1KMT2AL3MBTL1NPC1RECQL
SCHEMBL12271549 0.79 KMT2A (0.84) MEN1KMT2AL3MBTL1NPC1RECQL
SCHEMBL1951227 0.75 ALDH1A1 (0.82) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1897696 0.72 ANO1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14803393 0.72 ANO1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1897695 0.72 ANO1 (0.58) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1952182 0.71 KDM4E (0.57) MEN1KMT2AL3MBTL1NPC1RECQL

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 15 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

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 MEN1 2958/4885KMT2A 4706/4885L3MBTL1 3943/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885L3MBTL1 3943/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885L3MBTL1 3943/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885L3MBTL1 3943/4885

“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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