SCHEMBL315233

SCHEMBL315233

COc1ccc2c(c1)NC[C@H](C)C(=S)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
HTR2C P28335 2/20 0.40
MAPKAPK2 P49137 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2B P41595 1/20 0.40
SNCA P37840 1/20 0.40
CHRM1 P11229 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HTR5A P47898 2/20 0.37
GFER P55789 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 3/20 0.36
GAA P10253 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36

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
SCHEMBL315232 1.00 PDE3B (0.41) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL315231 1.00 PDE3B (0.41) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL11658276 0.95 PDE3B (0.40) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL315113 0.81 PDE3B (0.48) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL315114 0.81 PDE3B (0.48) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL315112 0.81 PDE3B (0.48) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL11657761 0.79 CHRM1 (0.42) HTR2CHTR2AHTR2BCHRM1ALDH1A1
SCHEMBL13729633 0.79 MAPKAPK2 (0.37) HTR2CMAPKAPK2HTR2AHTR2BCHRM1
SCHEMBL11654866 0.77 PDE3B (0.47) PDE3BPDE3AHTR2CMAPKAPK2HTR2A
SCHEMBL12654554 0.77 PARP1 (0.36) ALDH1A1HPGDGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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 (1 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 PDE3B 1435/4885PDE3A 1244/4885HTR2C 3617/4885

“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.