SCHEMBL1490744

SCHEMBL1490744

O=C(CCc1ccccc1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HCAR2 Q8TDS4 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC1 Q13547 3/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
POLB P06746 5/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SENP1 Q9P0U3 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4D Q6B0I6 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
EGLN3 Q9H6Z9 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL12756627 0.90 RAB9A (0.45) HDAC6HCAR2RAB9ANPC1HDAC1
SCHEMBL1490596 0.90 HCAR2 (0.53) HDAC6HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL12756640 0.89 HCAR2 (0.59) HDAC2HDAC8HCAR2RAB9ANPC1
SCHEMBL1490660 0.88 HCAR2 (0.48) HDAC6HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL15479106 0.88 HCAR2 (0.48) HCAR2RAB9ANPC1MAPTPOLB
SCHEMBL1490241 0.88 ALOX15 (0.53) HCAR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1490571 0.88 HCAR2 (0.59) HDAC2HDAC8HDAC6HCAR2RAB9A
SCHEMBL12756655 0.87 TSHR (0.51) HDAC6HCAR2RAB9ANPC1SMN1; SMN2
SCHEMBL12756647 0.87 HCAR2 (0.42) HCAR2RAB9ANPC1POLBMEN1
SCHEMBL12756645 0.86 HCAR2 (0.50) HDAC6HCAR2RAB9AHDAC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2014-02-20 US disclosed
US-8618307-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2013-12-31 US disclosed
EP-2477982-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2012-07-25 EP disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
WO-2011034962-A2 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA INC. (US) 2011-03-24 WO disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 US disclosed
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2011-03-17 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-20140051711-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC2 2333/4885HDAC8 1897/4885HDAC6 1662/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC2 2333/4885HDAC8 1897/4885HDAC6 1662/4885

“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.