SCHEMBL12756715

SCHEMBL12756715

O=C(CSc1ccccc1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ L3MBTL1 Q9Y468 5/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL12756714 0.86 LMNA (0.47) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL12756712 0.84 L3MBTL1 (0.52) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL12756625 0.81 BRD4 (0.43) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL1490744 0.81 HDAC2 (0.47) MEN1KMT2AMAPTHTTRAB9A
SCHEMBL1954153 0.80 LMNA (0.64) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL12756880 0.78 HDAC2 (0.55) MEN1KMT2AMAPTRAB9ATP53
SCHEMBL12756647 0.77 HCAR2 (0.42) MEN1KMT2ARAB9APOLBNPC1
SCHEMBL12756636 0.76 MAOB (0.42) LMNAMEN1KMT2AL3MBTL1HTT
SCHEMBL12756713 0.76 L3MBTL1 (0.51) LMNAMEN1KMT2AL3MBTL1MAPT
SCHEMBL12756730 0.76 GLS (0.44) LMNAMEN1KMT2AL3MBTL1MAPT

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 LMNA 1306/4885MEN1 2958/4885KMT2A 4706/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 LMNA 1306/4885MEN1 2958/4885KMT2A 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.

Send feedback