SCHEMBL12314162

SCHEMBL12314162

COc1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)O)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2C Q14957 4/20 0.78
▸ MEN1 O00255 8/20 0.77
▸ KMT2A Q03164 8/20 0.77
▸ NPC1 O15118 3/20 0.77
▸ RAB9A P51151 3/20 0.77
▸ PRNP P04156 2/20 0.72
▸ TNF P01375 1/20 0.72
▸ NOD2 Q9HC29 1/20 0.72
▸ NOD1 Q9Y239 1/20 0.72
▸ CASP3 P42574 1/20 0.65
▸ SENP8 Q96LD8 1/20 0.65
▸ SENP7 Q9BQF6 1/20 0.65
▸ SENP6 Q9GZR1 1/20 0.65
▸ ANO1 Q5XXA6 2/20 0.59
▸ ATM Q13315 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ NLRP3 Q96P20 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ PKM P14618 1/20 0.57
▸ MAPT P10636 1/20 0.56

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
SCHEMBL3629424 0.91 MEN1 (0.88) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL21247322 0.90 GRIN2C (0.79) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL12314179 0.89 GRIN2C (0.78) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL7901191 0.88 GRIN2C (1.00) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL28589595 0.88 GRIN2C (1.00) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL12314174 0.87 MEN1 (1.00) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL3622116 0.87 MEN1 (1.00) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL12314167 0.87 CASP3 (0.76) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL12314172 0.86 MEN1 (0.80) GRIN2CMEN1KMT2ANPC1RAB9A
SCHEMBL7899493 0.85 GRIN2C (0.81) GRIN2CMEN1KMT2ANPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 — — US disclosed
US-8524765-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-09-03 — — US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 — — US disclosed
US-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2012-11-15 — — US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 — — US disclosed
US-8263641-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2012-09-11 — — US disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 — — US disclosed
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-05-28 — — 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 (2 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-20120289587-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRIN2C 707/4885MEN1 2958/4885KMT2A 4706/4885
US-20090137659-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 GRIN2C 707/4885MEN1 2958/4885KMT2A 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.

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