SCHEMBL12319220

SCHEMBL12319220

O=C(/C=C/c1cccc(F)c1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.66
▸ RAB9A P51151 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ MAPT P10636 3/20 0.66
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ MEN1 O00255 3/20 0.66
▸ LMNA P02545 1/20 0.66
▸ SLC12A2 P55011 1/20 0.66
▸ SLC12A5 Q9H2X9 1/20 0.66
▸ ANO1 Q5XXA6 16/20 0.59
▸ ANO2 Q9NQ90 1/20 0.59
▸ TDP1 Q9NUW8 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ POLB P06746 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ BLM P54132 2/20 0.53
▸ UBE2I P63279 1/20 0.53
▸ HKDC1 Q2TB90 1/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53

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
SCHEMBL12319219 0.90 RAB9A (0.66) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL12319223 0.88 KMT2A (0.84) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL12830158 0.82 GAA (0.49) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL7950510 0.82 KMT2A (0.62) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL12319232 0.80 KMT2A (1.00) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL3630778 0.80 ANO1 (0.71) NPC1RAB9AKMT2AMEN1ANO1
SCHEMBL7952321 0.79 KMT2A (0.65) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL1901888 0.79 ANO1 (0.64) RAB9AKMT2AMEN1ANO1ANO2
SCHEMBL12319226 0.78 KMT2A (0.84) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL12271549 0.78 KMT2A (0.84) NPC1RAB9AKMT2AMAPTSMN1; 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 NPC1 262/4885RAB9A 1174/4885KMT2A 4706/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885KMT2A 4706/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885KMT2A 4706/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 NPC1 262/4885RAB9A 1174/4885KMT2A 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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