SCHEMBL230087

SCHEMBL230087

O=C1N=C(N(Cc2ccc(Br)nc2)CC(F)F)CO1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 1/20 0.30

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
SCHEMBL231963 0.87 DRD2 (0.32) MMP2MMP9MMP8MMP13
SCHEMBL231409 0.86 MEN1 (0.33)
SCHEMBL29571833 0.86 MEN1 (0.33)
SCHEMBL231790 0.84 PARP1 (0.32) PARP1MMP2MMP9MMP8MMP13
SCHEMBL231902 0.84 PARP1 (0.33) PARP1MMP2MMP9MMP8MMP13
SCHEMBL231711 0.83 PARP1 (0.32) PARP1
SCHEMBL231880 0.80 PARP1 (0.34) PARP1MMP2MMP9MMP8MMP13
SCHEMBL2892359 0.80 PARP1 (0.31) PARP1
SCHEMBL231678 0.78 ALDH1A1 (0.31)
SCHEMBL230824 0.77 PARP1 (0.32) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US claimed
EP-2587922-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES Bayer Intellectual Property GmbH (DE) 2013-05-08 EP disclosed
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 US disclosed
WO-2012000902-A1 IMPROVED INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 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-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES DDT, PRMT9, PNISR PARP1 4510/4885MMP2 619/4885MMP9 1230/4885

“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.