SCHEMBL23296178

SCHEMBL23296178

O=C(Cc1ccc(Cl)c(Cl)c1)NCc1cn(-c2ccc(-n3ccc(=O)[nH]c3=O)cc2)nn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.52
MIF P14174 5/20 0.47
PTGS2 P35354 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 1/20 0.39
APP P05067 1/20 0.39
WDR5 P61964 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL23329343 0.93 NOTUM (0.47) NOTUMMIFCA1CA2CA4
SCHEMBL23296182 0.85 NOTUM (0.53) NOTUMMIFCA1CA2CA4
SCHEMBL23296111 0.81 NOTUM (0.44) NOTUMMIFCA1CA2CA4
SCHEMBL23296155 0.80 MIF (0.49) NOTUMMIFPTGS2CA1CA2
SCHEMBL23296174 0.80 MIF (0.48) MIFPTGS2CA1CA2CA4
SCHEMBL3091122 0.77 MIF (0.53) NOTUMMIFCA1CA2CA4
SCHEMBL23296124 0.75 CA1 (0.51) NOTUMMIFCA1CA2CA4
SCHEMBL23329310 0.74 CA1 (0.63) NOTUMMIFPTGS2CA1CA2
SCHEMBL23296119 0.72 PTGS2 (0.41) NOTUMPTGS2CA1CA2CA4
SCHEMBL23296125 0.71 CA1 (0.57) NOTUMCA1CA2CA4CA9

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 NOTUM 4232/4885MIF 1173/4885PTGS2 2212/4885
US-11214564-B2 Compounds with thymine skeleton for use in medicine TMSB10, TMSB4X, TBCA NOTUM 4323/4885MIF 1468/4885PTGS2 2309/4885

“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.