SCHEMBL12319223

SCHEMBL12319223

O=C(/C=C/c1ccccc1)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.84
▸ NPC1 O15118 4/20 0.84
▸ RAB9A P51151 4/20 0.84
▸ MEN1 O00255 4/20 0.84
▸ MAPT P10636 3/20 0.84
▸ SMN1; SMN2 Q16637 3/20 0.84
▸ LMNA P02545 1/20 0.84
▸ SLC12A2 P55011 1/20 0.84
▸ SLC12A5 Q9H2X9 1/20 0.84
▸ TDP1 Q9NUW8 3/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ POLB P06746 2/20 0.64
▸ PKM P14618 2/20 0.64
▸ BLM P54132 2/20 0.64
▸ UBE2I P63279 1/20 0.64
▸ HKDC1 Q2TB90 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ UBA2 Q9UBT2 1/20 0.64
▸ RECQL P46063 2/20 0.61

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
SCHEMBL12319232 0.92 KMT2A (1.00) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL12319220 0.88 NPC1 (0.66) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL12319226 0.88 KMT2A (0.84) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7952321 0.88 KMT2A (0.65) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7950510 0.86 KMT2A (0.62) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL12271549 0.84 KMT2A (0.84) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL14803393 0.80 ANO1 (0.58) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1897695 0.80 ANO1 (0.58) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL1897696 0.80 ANO1 (0.58) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL7951624 0.79 KMT2A (0.62) KMT2ANPC1RAB9AMEN1MAPT

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 4706/4885NPC1 262/4885RAB9A 1174/4885
US-20110212970-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885NPC1 262/4885RAB9A 1174/4885
US-20130245025-A1 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 KMT2A 4706/4885NPC1 262/4885RAB9A 1174/4885
US-20110136816-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KMT2A 4706/4885NPC1 262/4885RAB9A 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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