SCHEMBL4036279

SCHEMBL4036279

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
TP53 P04637 2/20 0.34
ATM Q13315 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL4036613 0.77 NOTUM (0.44) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4035995 0.76 IDO1 (0.49) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL4036284 0.75 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL8280432 0.74 CNR1 (0.48) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL8279471 0.73 CYP2C19 (0.33) SMN1; SMN2ALDH1A1HPGDRAB9AMEN1
SCHEMBL14249281 0.67 POLB (0.47) ALDH1A1HPGDKDM4ENPC1RAB9A
SCHEMBL14248954 0.64 GRM5 (0.34) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL14248834 0.62 TDP1 (0.48) SMN1; SMN2ALDH1A1HPGDL3MBTL1KDM4E
SCHEMBL15201380 0.62 PREP (0.45) RAB9AMAPK1
SCHEMBL7083262 0.61 CTSA (0.45) SMN1; SMN2ALDH1A1L3MBTL1KDM4ENPC1

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 7 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-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 661/4885ALDH1A1 3706/4885HPGD 2634/4885
US-20070208064-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 SMN1; SMN2 661/4885ALDH1A1 3706/4885HPGD 2634/4885

“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.