SCHEMBL16364693

SCHEMBL16364693

O=c1cc(N[C@@H](O)c2ccccc2)[nH]c(=O)n1CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ TP53 P04637 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ ROCK2 O75116 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
SCHEMBL16324209 0.85 SMN1; SMN2 (0.63) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16324210 0.85 SMN1; SMN2 (0.63) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16364694 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16321932 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16321931 0.83 SMN1; SMN2 (0.45) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16341250 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16341248 0.81 SMN1; SMN2 (0.41) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16321791 0.80 SMN1; SMN2 (0.40) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL16321792 0.80 SMN1; SMN2 (0.40) SMN1; SMN2HTTCYP3A4CYP2B6TP53
SCHEMBL21667214 0.77 SMN1; SMN2 (0.47) SMN1; SMN2TP53MAPTALDH1A1EPHX2

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 SMN1; SMN2 1177/4885HTT 286/4885CYP3A4 2600/4885
US-20160030428-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD SMN1; SMN2 1177/4885HTT 286/4885CYP3A4 2600/4885
US-20170281626-A1 PYRIMIDINEDIONE COMPOUNDS TYMS, TYMP, DPYD SMN1; SMN2 1177/4885HTT 286/4885CYP3A4 2600/4885

“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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