SCHEMBL20711850

SCHEMBL20711850

CCCC(NC(C)C)C(C)CC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 2/20 0.33
PAX8 Q06710 2/20 0.33
ADRB2 P07550 1/20 0.31
PTGS2 P35354 1/20 0.31
OPRK1 P41145 1/20 0.31
SLC6A3 Q01959 1/20 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
SCHEMBL5932268 0.90 KMT2A (0.34) KMT2APAX8
SCHEMBL20055670 0.86 ALDH1A1 (0.37) TDP1KMT2A
SCHEMBL22920526 0.81 TDP1 (0.39) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL14818706 0.81 ALDH1A1 (0.32) TDP1
SCHEMBL23223575 0.80 ADRB2 (0.34) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL20938972 0.79 TDP1 (0.37) TDP1ADRB2PTGS2OPRK1SLC6A3
SCHEMBL28950811 0.77 KMT2A (0.36) KMT2APAX8
SCHEMBL22057176 0.75 AOC3 (0.42) KMT2APAX8
SCHEMBL24043195 0.75 KMT2A (0.36) KMT2APAX8
SCHEMBL13741667 0.75 TDP1 (0.33) TDP1ADRB2PTGS2OPRK1SLC6A3

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-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS GILEAD SCIENCES, INC. 2023-01-19 US disclosed
US-11186681-B2 S-Nitrosothiol-mediated hyperbranched polyesters THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2021-11-30 US disclosed
US-20200261453-A1 CRYSTAL FORM OF OREXIN RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-08-20 US disclosed
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190225747-A1 S-NITROSOTHIOL-MEDIATED HYPERBRANCHED POLYESTERS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2019-07-25 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (6 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-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 TDP1 3099/4885KMT2A 2047/4885PAX8 4264/4885
US-20190225747-A1 S-NITROSOTHIOL-MEDIATED HYPERBRANCHED POLYESTERS NOS2, NOS3, NOS1 TDP1 239/4885KMT2A 2855/4885PAX8 4674/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 TDP1 3099/4885KMT2A 2047/4885PAX8 4264/4885
US-20200261453-A1 CRYSTAL FORM OF OREXIN RECEPTOR ANTAGONIST COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF HCRTR2, HCRTR1, NPY5R TDP1 4855/4885KMT2A 2990/4885PAX8 1009/4885
US-11186681-B2 S-Nitrosothiol-mediated hyperbranched polyesters NOS2, NOS3, NOS1 TDP1 239/4885KMT2A 2855/4885PAX8 4674/4885
US-20230013585-A1 SUBSTITUTED 6-AZABENZIMIDAZOLE COMPOUNDS CDK6, HIPK1, DCK TDP1 1031/4885KMT2A 1111/4885PAX8 1113/4885

“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.