SCHEMBL3054450

SCHEMBL3054450

Cc1cn(N)c(C(N)=O)c1C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
SIRT3 Q9NTG7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 1/20 0.31
PARP15 Q460N3 1/20 0.31
PARP10 Q53GL7 1/20 0.31
POLB P06746 2/20 0.31

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
SCHEMBL14451934 0.77 ATM (0.38) TDP1POLB
SCHEMBL4051027 0.71 MEN1 (0.35) BRD4BRD9SIRT3TDP1SMN1; SMN2
SCHEMBL24890410 0.65 KMT2A (0.33) BRD4TDP1
SCHEMBL12493617 0.64 GPR35 (0.41) TDP1
SCHEMBL18060822 0.64
SCHEMBL28782535 0.64 GPR35 (0.37) TDP1SMN1; SMN2POLB
SCHEMBL1662848 0.64
SCHEMBL22528158 0.62 BRD4 (0.35) BRD4BRD9SMN1; SMN2PARP1POLB
SCHEMBL1665468 0.62 BRD4 (0.38) BRD4BRD9SIRT3TDP1SMN1; SMN2
SCHEMBL4051746 0.62 PARP1 (0.36) BRD4BRD9PARP1PARP15PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116371417-B Catalyst for synthesizing 3, 4-dimethyl pyrrole and preparation method and application thereof 济南悟通生物科技有限公司 2023-10-03 CN disclosed
CN-116478080-B Synthesis method of 3, 4-dimethylpyrrole 济南悟通生物科技有限公司 2023-10-03 CN disclosed
CN-116478080-A Synthesis method of 3, 4-dimethylpyrrole 济南悟通生物科技有限公司 2023-07-25 CN disclosed
CN-116371417-A Catalyst for synthesizing 3, 4-dimethyl pyrrole and preparation method and application thereof 济南悟通生物科技有限公司 2023-07-04 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-02-26 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 (3 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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 BRD4 1440/4885BRD9 2232/4885SIRT3 611/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 BRD4 1440/4885BRD9 2232/4885SIRT3 611/4885
US-20090054410-A1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 BRD4 1440/4885BRD9 2232/4885SIRT3 611/4885

“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.