SCHEMBL12756728

SCHEMBL12756728

O=C(CCc1cccs1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ POLB P06746 2/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FPR2 P25090 1/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ LMNA P02545 4/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36

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
SCHEMBL12756718 0.89 MEN1 (0.44) HDAC1HDAC6KMT2APOLBSMN1; SMN2
SCHEMBL1490744 0.85 HDAC2 (0.47) HDAC1HDAC6KMT2APOLBSMN1; SMN2
SCHEMBL12756721 0.83 NTRK1 (0.49) HDAC1HDAC6KMT2APOLBTDP1
SCHEMBL12756651 0.82 HCAR2 (0.40) KMT2APOLBLMNAMEN1KDM4E
SCHEMBL12756668 0.82 POLB (0.42) HDAC1HDAC6KMT2APOLBGRK2
SCHEMBL12756647 0.82 HCAR2 (0.42) KMT2APOLBGRK2MEN1NPC1
SCHEMBL1954491 0.81 KMT2A (0.54) KMT2APOLBTDP1SMN1; SMN2LMNA
SCHEMBL12756636 0.81 MAOB (0.42) KMT2APOLBGRK2RECQLCTDSP1
SCHEMBL12756627 0.80 RAB9A (0.45) HDAC1HDAC6KMT2APOLBMEN1
SCHEMBL1490596 0.80 HCAR2 (0.53) HDAC1HDAC6POLBGRK2CTDSP1

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 5 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
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

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 HDAC1 2696/4885HDAC6 1662/4885KMT2A 4706/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 HDAC1 2696/4885HDAC6 1662/4885KMT2A 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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