SCHEMBL16364675

SCHEMBL16364675

CCCCOc1ccc([C@H](C)Nc2cc(=O)n(C(C)C)c(=O)[nH]2)cc1

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 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ MAOB P27338 2/20 0.47
▸ UNG P13051 2/20 0.41
▸ CASR P41180 2/20 0.41
▸ ACACB O00763 4/20 0.38
▸ ACACA Q13085 2/20 0.38
▸ MMP9 P14780 1/20 0.37
▸ MMP8 P22894 1/20 0.37
▸ MMP13 P45452 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SLC2A1 P11166 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.37

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
Mavacamten SCHEMBL16320785 0.79 CYP3A4 (1.00) CYP3A4CYP2B6SMN1; SMN2HTT
Mavacamten SCHEMBL16322996 0.79 CYP3A4 (1.00) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL16364785 0.78 CYP3A4 (0.63) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL22442420 0.73 CYP3A4 (0.58) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL16320678 0.73 CYP3A4 (0.69) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL31686185 0.71 CYP3A4 (0.74) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL16320781 0.71 CYP3A4 (0.69) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL16320771 0.70 CYP3A4 (0.72) CYP3A4CYP2B6SMN1; SMN2HTT
SCHEMBL16324266 0.70 CYP3A4 (0.60) CYP3A4CYP2B6SMN1; SMN2HTTACACB
SCHEMBL16324269 0.70 CYP3A4 (0.60) CYP3A4CYP2B6SMN1; SMN2HTTACACB

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-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS MyoKardia, Inc. 2017-10-05 — — US disclosed
US-9585883-B2 Pyrimidinedione compounds MyoKardia, Inc. (US) 2017-03-07 — — 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-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 (3 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-20140378464-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-20170281626-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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