SCHEMBL12319232

SCHEMBL12319232

O=C(/C=C/c1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 12/20 1.00
▸ MEN1 O00255 11/20 1.00
▸ RAB9A P51151 6/20 1.00
▸ NPC1 O15118 5/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ MAPT P10636 4/20 1.00
▸ LMNA P02545 1/20 1.00
▸ SLC12A2 P55011 1/20 1.00
▸ SLC12A5 Q9H2X9 1/20 1.00
▸ PKM P14618 4/20 0.74
▸ TDP1 Q9NUW8 3/20 0.74
▸ ALDH1A1 P00352 3/20 0.74
▸ KDM4E B2RXH2 2/20 0.74
▸ POLB P06746 2/20 0.74
▸ BLM P54132 2/20 0.74
▸ UBE2I P63279 2/20 0.74
▸ SAE1 Q9UBE0 2/20 0.74
▸ UBA2 Q9UBT2 2/20 0.74
▸ HKDC1 Q2TB90 1/20 0.74
▸ RECQL P46063 2/20 0.71

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
SCHEMBL12319223 0.92 KMT2A (0.84) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12319226 0.92 KMT2A (0.84) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL13024497 0.85 KMT2A (1.00) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12319219 0.80 RAB9A (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12319220 0.80 NPC1 (0.66) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7952321 0.79 KMT2A (0.65) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL6311471 0.77 KMT2A (0.64) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL12319233 0.77 KMT2A (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7950510 0.77 KMT2A (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL7951624 0.77 KMT2A (0.62) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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-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-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-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-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 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885MEN1 2958/4885RAB9A 1174/4885

“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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