SCHEMBL1954658

SCHEMBL1954658

O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccco1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.82
▸ KMT2A Q03164 8/20 0.82
▸ SMN1; SMN2 Q16637 4/20 0.82
▸ ALDH1A1 P00352 4/20 0.82
▸ TSHR P16473 3/20 0.82
▸ HSD17B10 Q99714 3/20 0.82
▸ TP53 P04637 2/20 0.82
▸ PKM P14618 2/20 0.82
▸ HTT P42858 2/20 0.82
▸ USP2 O75604 1/20 0.82
▸ NPC1 O15118 6/20 0.65
▸ RAB9A P51151 6/20 0.65
▸ KDM4E B2RXH2 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ LMNA P02545 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ CASP3 P42574 1/20 0.60
▸ SENP8 Q96LD8 1/20 0.60
▸ SENP7 Q9BQF6 1/20 0.60
▸ SENP6 Q9GZR1 1/20 0.60

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
SCHEMBL1951227 0.88 ALDH1A1 (0.82) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL12314172 0.82 MEN1 (0.80) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL3629424 0.81 MEN1 (0.88) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL1893060 0.79 KMT2A (0.84) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1954661 0.79 MEN1 (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1893062 0.79 KMT2A (0.84) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL12756510 0.79 RAB9A (0.53) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL15233176 0.79 CASP3 (0.83) MEN1KMT2APKMNPC1RAB9A
SCHEMBL1954819 0.77 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR
SCHEMBL1951848 0.77 MEN1 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1TSHR

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 23 patents — showing the first 20. 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-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-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-8383670-B2 Trisubstituted thiophenes that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-02-26 — — US disclosed
CN-102256969-A Compounds that modulate intracellular calcium CALCIMEDICA INC 2011-11-23 — — CN 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-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-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 (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-20100261725-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885SMN1; SMN2 854/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885SMN1; SMN2 854/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MEN1 2958/4885KMT2A 4706/4885SMN1; SMN2 854/4885

“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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