SCHEMBL23780875

SCHEMBL23780875

C#Cc1cnc2c(C)cc(OC(CCC)(SC)C(N)=O)cc2c1

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38

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
SCHEMBL21723834 0.92 PARP1 (0.39) PARP1
SCHEMBL29564411 0.92 PARP1 (0.39) PARP1
SCHEMBL23780882 0.91 PARP1 (0.37) PARP1
SCHEMBL20534741 0.84 PARP1 (0.38) PARP1
SCHEMBL23780868 0.83 PARP1 (0.40) PARP1
SCHEMBL20520529 0.82 PARP1 (0.41) PARP1
SCHEMBL22528909 0.81 PARP1 (0.40) PARP1
SCHEMBL23780873 0.81 PARP1 (0.37) PARP1
SCHEMBL3806429 0.79 PARP1 (0.33) PARP1
SCHEMBL20534739 0.76 PARP1 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210276930-A1 USE OF A SUBSTITUTED THIAZOLIDINE COMPOUND AS NITRIFICATION INHIBITOR BASF SE (DE) 2021-09-09 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-20210276930-A1 USE OF A SUBSTITUTED THIAZOLIDINE COMPOUND AS NITRIFICATION INHIBITOR NAT1, NOS1, NOS2 PARP1 4836/4885

“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.