SCHEMBL12366123

SCHEMBL12366123

[C-]#[N+]CC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.57
MAPT P10636 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.52
EPHX1 P07099 1/20 0.52
TSHR P16473 1/20 0.52
CDK9 P50750 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
KDM1A O60341 1/20 0.52
GAA P10253 1/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
HDAC4 P56524 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC7 Q8WUI4 5/20 0.50
HDAC11 Q96DB2 5/20 0.50
HDAC8 Q9BY41 5/20 0.50

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
SCHEMBL12366200 0.91 ALDH1A1 (0.62) EPHX2MAPTHTTTP53SMN1; SMN2
SCHEMBL9976374 0.85 EPHX2 (0.55) EPHX2L3MBTL1TP53EPHX1TSHR
SCHEMBL12366199 0.84 MGLL (0.62) HDAC4HDAC1HDAC7HDAC11HDAC8
SCHEMBL27640149 0.82 EPHX2 (0.55) EPHX2MAPTL3MBTL1HTTTP53
SCHEMBL12366106 0.80 ALOX5 (0.58) TSHRSMN1; SMN2GAAKDM4ECYP3A4
SCHEMBL1689206 0.80 EPHX2 (0.68) EPHX2MAPTL3MBTL1HTTTP53
SCHEMBL2688879 0.78 EPHX2 (0.61) EPHX2MAPTL3MBTL1HTTTP53
SCHEMBL12618851 0.78 EPHX2 (0.58) EPHX2L3MBTL1HTTSMN1; SMN2MEN1
SCHEMBL3342586 0.78 L3MBTL1 (0.80) EPHX2MAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL2470801 0.77 L3MBTL1 (0.66) EPHX2MAPTL3MBTL1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420856-B2 Process for preparation of teriflunomide ALEMBIC LTD. (ID) 2013-04-16 US disclosed
US-8389757-B2 Process for preparing teriflunomide ALEMBIC LTD. (IN) 2013-03-05 US disclosed
US-7998986-B2 Heterocyclic compounds, in particular N-substituted pyridones for modulating the activity of nuclear receptors EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20110105795-A1 PROCESS FOR PREPARATION OF TERIFLUNOMIDE Akembic Ltd. (IN) 2011-05-05 US disclosed
US-20110092727-A1 PROCESS FOR PREPARING TERIFLUNOMIDE ALEMBIC LIMITED (IN) 2011-04-21 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-20110105795-A1 PROCESS FOR PREPARATION OF TERIFLUNOMIDE CYP3A5, CYP51A1, CYP2F1 EPHX2 1320/4885MAPT 1862/4885L3MBTL1 4725/4885
US-20110092727-A1 PROCESS FOR PREPARING TERIFLUNOMIDE FIP1L1, CYP2F1, FDPS EPHX2 888/4885MAPT 2578/4885L3MBTL1 4492/4885

“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.