SCHEMBL942383

SCHEMBL942383

Cc1c(Br)cc2c(C(C[PH](=O)O)C(=O)Nc3ccc4ccccc4c3)coc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 7/20 0.42
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
ROCK2 O75116 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 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
SCHEMBL943094 0.89 CMA1 (0.40) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL943753 0.86 CMA1 (0.44) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL942384 0.81 CMA1 (0.59) CMA1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL945311 0.81 CMA1 (0.65) CMA1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL942502 0.81 CMA1 (0.63) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL941825 0.80 CMA1 (0.52) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL941589 0.79 CMA1 (0.45) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL944661 0.77 CMA1 (0.53) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL941582 0.76 CMA1 (0.50) CMA1RAB9ANPC1ROCK2SMN1; SMN2
SCHEMBL942970 0.76 CMA1 (0.50) CMA1RAB9ANPC1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872044-B2 (thio)amide benzofuran compounds containing phosphonic, phosphinic, sulfonic, sulfamic, or carboxy acid groups; for example [benzofuran-3-yl-(naphthalen-2-ylcarbamoyl)-methyl]-phosphonic acid; treating inflammatory or serine protease mediated disorders such as allergic rhinitis, asthma and heart failure JANSSEN PHARMACEUTICA NV (BE) 2011-01-18 US claimed
EP-2097399-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-09 EP claimed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US claimed
WO-2008048668-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 WO claimed
EP-2097399-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-09 EP disclosed
US-20080096844-A1 Novel inhibitors of chymase JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 US disclosed
WO-2008048668-A2 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA, N.V. (BE) 2008-04-24 WO 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 (1 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-20080096844-A1 Novel inhibitors of chymase CMA1, SERPINB1, PRSS1 CMA1 1/4885RAB9A 1071/4885NPC1 407/4885

“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.