SCHEMBL17841304

SCHEMBL17841304

CC(C)n1c(=O)cc(NC(CC(=O)O)c2ccccc2)[nH]c1=O

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.69
▸ CYP2B6 P20813 1/20 0.69
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ HTT P42858 2/20 0.50
▸ POLB P06746 2/20 0.41
▸ CTSA P10619 6/20 0.39
▸ ATM Q13315 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ EEF2K O00418 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ CYP26A1 O43174 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL17841303 1.00 CYP3A4 (0.69) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL16322089 0.89 CYP3A4 (0.70) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL16322092 0.89 CYP3A4 (0.70) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL17857468 0.88 CYP3A4 (0.60) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL16320771 0.88 CYP3A4 (0.72) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL16320772 0.88 CYP3A4 (0.72) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL16320779 0.85 CYP3A4 (0.69) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL16320781 0.85 CYP3A4 (0.69) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL17841291 0.85 CYP3A4 (0.53) CYP3A4CYP2B6SMN1; SMN2HTTPOLB
SCHEMBL17841290 0.85 CYP3A4 (0.53) CYP3A4CYP2B6SMN1; SMN2HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663516-B2 Bicyclic-pyrimidinedione compounds MyoKardia, Inc. (US) 2017-05-30 — — US disclosed
US-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2016-06-23 — — 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 (1 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-20160176868-A1 BICYCLIC-PYRIMIDINEDIONE COMPOUNDS TNNI3, NME4, TNNT2 CYP3A4 2865/4885CYP2B6 1968/4885SMN1; SMN2 2201/4885

“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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