SCHEMBL13489652

SCHEMBL13489652

CCOP(=O)(OCC)C(C(=O)Nc1cc2ccccc2cc1CNC1CCCCC1)c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 3/20 0.41
EPHX1 P07099 2/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
BACE1 P56817 1/20 0.39
PYGL P06737 1/20 0.38
METAP2 P50579 1/20 0.37
METAP1 P53582 1/20 0.37
ACP3 P15309 2/20 0.37
ABL1 P00519 1/20 0.37
POLB P06746 1/20 0.37
RIN1 Q13671 1/20 0.37
HPGD P15428 3/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 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
SCHEMBL409081 0.88 CMA1 (0.54) CMA1EPHX1KMT2AMEN1BACE1
SCHEMBL1052617 0.87 CMA1 (0.55) CMA1EPHX1KMT2AMEN1BACE1
SCHEMBL10261983 0.85 CMA1 (0.49) CMA1KMT2AMEN1ACP3HPGD
SCHEMBL10260383 0.80 CMA1 (0.50) CMA1KMT2AMEN1ACP3POLB
SCHEMBL13952863 0.80 CMA1 (0.50) CMA1KMT2AMEN1ACP3POLB
SCHEMBL1001626 0.80 CMA1 (0.53) CMA1ACP3PTGER4CTSG
SCHEMBL1001628 0.80 CMA1 (0.49) CMA1ACP3PTGER4CTSG
SCHEMBL10260988 0.79 CMA1 (0.49) CMA1KMT2AMEN1ACP3HPGD
SCHEMBL13489658 0.78 CMA1 (0.48) CMA1KMT2AMEN1ACP3HPGD
SCHEMBL10260917 0.78 CMA1 (0.41) CMA1KMT2AMEN1ACP3HPGD

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-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US disclosed
US-20090036409-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2009-02-05 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US disclosed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885EPHX1 308/4885KMT2A 4119/4885
US-20090036409-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 CMA1 1/4885EPHX1 308/4885KMT2A 4119/4885

“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.