SCHEMBL30320778

SCHEMBL30320778

COC(=O)Nc1ccc(C(=O)CBr)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.46
HCAR3 P49019 6/20 0.43
DEGS1 O15121 3/20 0.43
NNMT P40261 1/20 0.41
EPHX2 P34913 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39

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
SCHEMBL25702957 1.00 GSK3B (0.46) GSK3BHCAR3DEGS1NNMTEPHX2
SCHEMBL28653645 0.86 GRIN2B (0.53) GSK3BHCAR3DEGS1EPHX2HDAC1
SCHEMBL1203341 0.84 PTK2 (0.54) GSK3BHCAR3DEGS1NNMTEPHX2
SCHEMBL30320779 0.81 DEGS1 (0.47) HCAR3DEGS1NNMT
SCHEMBL16865853 0.81 HCAR3 (0.64) GSK3BHCAR3NNMTPTPN1
SCHEMBL31661280 0.81 HCAR3 (0.64) GSK3BHCAR3NNMTPTPN1
SCHEMBL10033268 0.81 HCAR3 (0.64) HCAR3
SCHEMBL9772954 0.81 ALDH1A1 (0.51) GSK3BHCAR3DEGS1HDAC1
SCHEMBL16755148 0.80 GCK (0.50) HCAR3DEGS1
Bromide SCHEMBL16753536 0.80 HCAR3 (0.62) GSK3BHCAR3NNMTPTPN1

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-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-06-15 US disclosed
US-20230097157-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 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 (2 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-20230097157-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 GSK3B 1699/4885HCAR3 2022/4885DEGS1 3066/4885
US-20230183233-A1 Bicyclic Pyridin-2-one and pyrimidin-4-one Derivatives Useful As a Factor XIa Inhibitors KLKB1, F2, SERPINC1 GSK3B 1699/4885HCAR3 2022/4885DEGS1 3066/4885

“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.