SCHEMBL4036284

SCHEMBL4036284

CON(C)C(=O)c1cnc(S)n1-c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
ICAM1 P05362 1/20 0.36
SELE P16581 1/20 0.36
ALDH1A1 P00352 6/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL14248954 0.88 GRM5 (0.34) SMN1; SMN2ALDH1A1CYP3A4CYP2C19NOTUM
SCHEMBL8279471 0.81 CYP2C19 (0.33) SMN1; SMN2ALDH1A1CYP3A4CYP2C19NOTUM
SCHEMBL4036613 0.80 NOTUM (0.44) SMN1; SMN2ALDH1A1CYP3A4CYP2C19NOTUM
SCHEMBL4035995 0.77 IDO1 (0.49) SMN1; SMN2ALDH1A1CYP2C19MAPTGAA
SCHEMBL4036279 0.75 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1CYP2C19MAPTKDM4E
SCHEMBL14752938 0.70 ALK (0.35) ALDH1A1CYP2C19GAAPOLBCYP1A2
SCHEMBL8280432 0.69 CNR1 (0.48) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL11929579 0.67 TDP1 (0.40) SMN1; SMN2ICAM1SELEALDH1A1MAPT
SCHEMBL870352 0.67 MLYCD (0.57) SMN1; SMN2ALDH1A1MAPTGAAHPGD
SCHEMBL14249281 0.67 POLB (0.47) ALDH1A1MAPTGAAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722785-A4 ION CHANNEL MODULATORS WYETH CORP (US) 2009-07-08 EP disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070208064-A1 Ion channel modulators WYETH (US) 2007-09-06 US disclosed
EP-1722785-A1 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
EP-1723117-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005087228-A1 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 SMN1; SMN2 661/4885ICAM1 3181/4885SELE 4724/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 SMN1; SMN2 661/4885ICAM1 3181/4885SELE 4724/4885

“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.