SCHEMBL3978411

SCHEMBL3978411

CC(C)(CN)CN1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
KEAP1 Q14145 1/20 0.43
KDM4E B2RXH2 4/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 3/20 0.37
RECQL P46063 1/20 0.37
AOC2 O75106 1/20 0.36
USP2 O75604 1/20 0.35
GAA P10253 3/20 0.35
SIGMAR1 Q99720 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
NCF1 P14598 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10567818 0.84 CYP2D6 (0.47) KDM4ECYP2D6
SCHEMBL11135476 0.80 ALDH1A1 (0.42) SMN1; SMN2KEAP1KDM4ECYP2D6ALDH1A1
SCHEMBL2783147 0.79 CYP2D6 (0.43) KDM4ECYP2D6
SCHEMBL12017298 0.79 SMN1; SMN2 (0.36) SMN1; SMN2KEAP1KDM4ECYP2D6ALDH1A1
SCHEMBL5858944 0.78 KDM4E (0.43) SMN1; SMN2KEAP1KDM4EALDH1A1RECQL
SCHEMBL11483109 0.78 SMN1; SMN2 (0.37) SMN1; SMN2KEAP1KDM4ECYP2D6ALDH1A1
SCHEMBL5858941 0.78 SMN1; SMN2 (0.41) SMN1; SMN2KEAP1KDM4EALDH1A1RECQL
SCHEMBL862113 0.77 SMN1; SMN2 (0.41) SMN1; SMN2KEAP1KDM4ECYP2D6ALDH1A1
SCHEMBL11972631 0.77 CYP2D6 (0.41) SMN1; SMN2KDM4ECYP2D6ALDH1A1SIGMAR1
SCHEMBL3983973 0.77 CYP2D6 (0.41) SMN1; SMN2KDM4ECYP2D6ALDH1A1SIGMAR1

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-7491718-B2 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES (US) 2009-02-17 US disclosed
EP-1549613-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY Abbott Laboratories (US) 2005-07-06 EP disclosed
US-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity ABBVIE INC. 2004-08-26 US disclosed
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity ABBOTT LABORATORIES 2004-08-12 US disclosed
WO-2004033419-A1 SULFONAMIDES HAVING ANTIANGIOGENIC AND ANTICANCER ACTIVITY ABBOTT LABORATORIES (US) 2004-04-22 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 (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-20040167128-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SMN1; SMN2 1949/4885KEAP1 3133/4885KDM4E 2363/4885
US-20040157836-A1 Sulfonamides having antiangiogenic and anticancer activity METAP2, METAP1, DNPEP SMN1; SMN2 1949/4885KEAP1 3133/4885KDM4E 2363/4885

“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.