SCHEMBL16322018

SCHEMBL16322018

C[C@H](Nc1cc(=O)n([C@@H](C)COCc2ccccc2)c(=O)[nH]1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.65
▸ CYP2B6 P20813 1/20 0.65
▸ SMN1; SMN2 Q16637 3/20 0.57
▸ HTT P42858 1/20 0.57
▸ MMP9 P14780 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ TP53 P04637 1/20 0.37
▸ MME P08473 1/20 0.37
▸ TACR1 P25103 8/20 0.35
▸ DAO P14920 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ IDH1 O75874 1/20 0.34
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL16321728 1.00 CYP3A4 (0.65) CYP3A4CYP2B6SMN1; SMN2HTTMMP9
SCHEMBL16321729 1.00 CYP3A4 (0.65) CYP3A4CYP2B6SMN1; SMN2HTTMMP9
SCHEMBL20546698 1.00 CYP3A4 (0.65) CYP3A4CYP2B6SMN1; SMN2HTTMMP9
SCHEMBL16364785 0.85 CYP3A4 (0.63) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL21667273 0.84 SMN1; SMN2 (0.44) CYP3A4CYP2B6SMN1; SMN2HTTTP53
SCHEMBL16356126 0.83 CYP3A4 (0.76) CYP3A4CYP2B6SMN1; SMN2HTTTP53
SCHEMBL16322276 0.83 CYP3A4 (0.62) CYP3A4CYP2B6SMN1; SMN2HTTMMP9
SCHEMBL16322278 0.83 CYP3A4 (0.62) CYP3A4CYP2B6SMN1; SMN2HTTMMP9
SCHEMBL16322227 0.82 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTTP53
SCHEMBL20547251 0.82 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTTP53

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4744664-A2 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2026-05-20 — — EP disclosed
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2024-11-21 — — US disclosed
US-RE50050-E1 Pyrimidinedione compounds MyoKardia, Inc. (US) 2024-07-23 — — US disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US disclosed
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2023-06-01 — — US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 — — US disclosed
US-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2021-11-11 — — US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US disclosed
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US disclosed
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-02-04 — — US disclosed
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-02-04 — — US disclosed
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-02-04 — — US disclosed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 — — US disclosed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 — — US disclosed
US-9181200-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2015-11-10 — — US disclosed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 — — US disclosed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 — — US disclosed
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2014-12-25 — — US disclosed
WO-2014205223-A1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MyoKardia, Inc. (US) 2014-12-24 — — WO 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-20210346379-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885SMN1; SMN2 1177/4885
US-20140378464-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885SMN1; SMN2 1177/4885
US-20240382486-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885SMN1; SMN2 1177/4885
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885SMN1; SMN2 1177/4885
US-20230165860-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885SMN1; SMN2 1177/4885
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD CYP3A4 2600/4885CYP2B6 1992/4885SMN1; SMN2 1177/4885

“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.

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