SCHEMBL12756729

SCHEMBL12756729

O=C(CCc1cc2ccccc2o1)Nc1csc(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 2/20 0.40
▸ MMP9 P14780 2/20 0.40
▸ ADAM17 P78536 2/20 0.40
▸ DRD2 P14416 1/20 0.37
▸ DRD4 P21917 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ GLS O94925 2/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ LMNA P02545 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL12756730 0.90 GLS (0.44) DRD2DRD4DRD3GLSMAOB
SCHEMBL7943824 0.83 CASP3 (0.48) KMT2ASMN1; SMN2MEN1LMNANPC1
SCHEMBL1490744 0.82 HDAC2 (0.47) HDAC1HDAC6KMT2ASMN1; SMN2MEN1
SCHEMBL12756721 0.81 NTRK1 (0.49) HDAC1HDAC6KMT2ASMN1; SMN2MEN1
SCHEMBL12756728 0.79 HDAC1 (0.42) HDAC1HDAC6KMT2ASMN1; SMN2MEN1
SCHEMBL12756647 0.78 HCAR2 (0.42) MAOBKMT2AMEN1NPC1RAB9A
SCHEMBL12756651 0.78 HCAR2 (0.40) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL12756669 0.77 MKNK1 (0.44) MMP2MMP9ADAM17MAOBKMT2A
SCHEMBL12756636 0.77 MAOB (0.42) MAOBKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL12756668 0.76 POLB (0.42) HDAC1HDAC6KMT2AMEN1LMNA

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 MMP2 4407/4885MMP9 3922/4885ADAM17 3741/4885
US-20110065724-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 MMP2 4407/4885MMP9 3922/4885ADAM17 3741/4885

“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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