SCHEMBL5582045

SCHEMBL5582045

CN1C=CCC(C(N)=O)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.33
BCHE P06276 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
CYP3A4 P08684 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL2405836 0.82 ABAT (0.38) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
Hydrochloric Acid SCHEMBL9152336 0.80 ABAT (0.37) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL6421988 0.78 BRD4 (0.44) SMN1; SMN2CHRNB2CHRNA3CHRNA4
SCHEMBL6270700 0.77 BCHE (0.37) SMN1; SMN2BCHEALDH1A1GAA
SCHEMBL6267871 0.76 KMT2A (0.31) SMN1; SMN2
SCHEMBL6268314 0.76 SMN1; SMN2 (0.42) SMN1; SMN2BCHEALDH1A1GAA
SCHEMBL6268319 0.74 GAA (0.31) SMN1; SMN2GAA
SCHEMBL6268517 0.72 MAPK1 (0.30)
SCHEMBL6271775 0.72 BCHE (0.31) BCHE
SCHEMBL4067739 0.70

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-20070166296-A1 Therapeutic Systems ENZACTA R & D LIMITED 2007-07-19 US disclosed
US-7138122-B2 Therapeutic systems ENZACTA R & D LIMITED (GB) 2006-11-21 US disclosed
EP-0988059-B1 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LTD (GB) 2005-12-07 EP disclosed
US-6867231-B1 Therapeutic systems ENZACTA R & D LIMITED (GB) 2005-03-15 US disclosed
EP-1468698-A2 HUMAN QUINONE REDUCTASE 2 CONJUGATES FOR ADEPT AND GDEPT ENZACTA R & D LIMITED (GB) 2004-10-20 EP disclosed
US-20030086933-A1 Therapeutic systems ENZACTA R & D LIMITED 2003-05-08 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-20070166296-A1 Therapeutic Systems NQO2, NQO1, NAPRT SMN1; SMN2 513/4885BCHE 2845/4885CHRNB2 796/4885
US-20030086933-A1 Therapeutic systems NQO2, NQO1, NAPRT SMN1; SMN2 513/4885BCHE 2845/4885CHRNB2 796/4885

“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.