SCHEMBL23296124

SCHEMBL23296124

O=C(O)Cc1cn(-c2ccc(-n3ccc(=O)[nH]c3=O)cc2)nn1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.51
CA2 P00918 4/20 0.51
CA9 Q16790 4/20 0.51
CA4 P22748 2/20 0.51
DDB1 Q16531 2/20 0.47
CRBN Q96SW2 2/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 1/20 0.44
NOTUM Q6P988 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MIF P14174 4/20 0.39
CD74 P04233 1/20 0.39
CA12 O43570 2/20 0.38
NPC1 O15118 1/20 0.38
APP P05067 1/20 0.37

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
SCHEMBL23296155 0.84 MIF (0.49) CA1CA2CA9CA4DDB1
SCHEMBL23296125 0.83 CA1 (0.57) CA1CA2CA9CA4DDB1
SCHEMBL23296174 0.83 MIF (0.48) CA1CA2CA9CA4DDB1
SCHEMBL23296111 0.78 NOTUM (0.44) CA1CA2CA9CA4NOTUM
SCHEMBL23329343 0.77 NOTUM (0.47) CA1CA2CA9CA4NOTUM
SCHEMBL23329310 0.76 CA1 (0.63) CA1CA2CA9CA4NOTUM
SCHEMBL19127484 0.76 MIF (0.55) CA1CA2CA9MAOAMAOB
SCHEMBL22629818 0.76 MAPT (0.67) MAOAMAOBNOTUML3MBTL1KDM4E
SCHEMBL3091122 0.74 MIF (0.53) CA1CA2CA9CA4NOTUM
SCHEMBL19144500 0.74 MAOA (0.58) CA1CA2CA9MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
US-11214564-B2 Compounds with thymine skeleton for use in medicine Technische Universität Dresden (DE) 2022-01-04 US disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
EP-3819006-A1 COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-12 EP disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 US disclosed
US-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE Technische Universität Dresden (DE) 2021-05-06 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-20210130328-A1 NOVEL COMPOUNDS WITH THYMINE SKELETON FOR USE IN MEDICINE TMSB10, TMSB4X, TBCA CA1 4427/4885CA2 4260/4885CA9 4127/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA CA1 4117/4885CA2 3933/4885CA9 3701/4885

“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.