SCHEMBL231903

SCHEMBL231903

CC(Cc1ccc(Br)nc1)NC1=NC(=O)OC1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
ACACB O00763 1/20 0.30
FDFT1 P37268 1/20 0.30
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
SCHEMBL230650 0.85 LMNA (0.36)
SCHEMBL231881 0.77 PARP1 (0.34) PARP1
SCHEMBL230825 0.75 HDAC3 (0.34) PARP1
SCHEMBL229894 0.74 PARP1 (0.32) PARP1
SCHEMBL231880 0.69 PARP1 (0.34) PARP1MMP2MMP9MMP8MMP13
SCHEMBL231902 0.68 PARP1 (0.33) PARP1MMP2MMP9MMP8MMP13
SCHEMBL17184104 0.68 MEN1 (0.33)
SCHEMBL17051315 0.68 CYP11B1 (0.42) PARP1MMP2MMP9MMP8MMP13
SCHEMBL5497689 0.68 TP53 (0.49) PARP1FDFT1MMP2MMP9MMP8
SCHEMBL229893 0.67 MMP2 (0.34) PARP1MMP2MMP9MMP8MMP13

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 2 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
US-20120004268-A1 INSECTICIDAL COMPOSITIONS COMPRISING CYCLIC CARBONYLAMIDINES BAYER CROPSCIENCE AG (DE) 2012-01-05 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 (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 4510/4885ACACB 4015/4885FDFT1 4300/4885

“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.