SCHEMBL20547251

SCHEMBL20547251

CC(Nc1cc(=O)n(C(C)CO)c(=O)[nH]1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.74
▸ CYP2B6 P20813 1/20 0.74
▸ SMN1; SMN2 Q16637 3/20 0.64
▸ HTT P42858 1/20 0.64
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MAPT P10636 1/20 0.38
▸ TP53 P04637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ IMPDH2 P12268 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ PDE9A O76083 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ USP1 O94782 1/20 0.34
▸ APAF1 O14727 1/20 0.34

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
SCHEMBL16321026 1.00 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL16321028 1.00 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL16322227 1.00 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL16321312 0.90 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL16321311 0.90 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL16356126 0.89 CYP3A4 (0.76) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
Mavacamten SCHEMBL16320785 0.85 CYP3A4 (1.00) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
Mavacamten SCHEMBL16356131 0.85 CYP3A4 (1.00) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
Mavacamten SCHEMBL16322996 0.85 CYP3A4 (1.00) CYP3A4CYP2B6SMN1; SMN2HTTMEN1
SCHEMBL16320673 0.84 CYP3A4 (0.70) CYP3A4CYP2B6SMN1; SMN2HTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200297726-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2020-09-24 — — US disclosed
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
US-20180311242-A1 PYRIMIDINEDIONE COMPOUNDS MYOKARDIA INC (US) 2018-11-01 — — 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-20180311242-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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