SCHEMBL891194

SCHEMBL891194

CCN(CC)CCNC(=O)c1ccc2[nH]c(=O)n(CCN)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.60
HSD17B10 Q99714 4/20 0.60
KDM4E B2RXH2 3/20 0.60
GLA P06280 3/20 0.60
LMNA P02545 3/20 0.60
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
ALDH1A1 P00352 7/20 0.58
HPGD P15428 3/20 0.58
HTT P42858 1/20 0.58
TSHR P16473 2/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
ACHE P22303 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
TP53 P04637 1/20 0.47
TMEM97 Q5BJF2 1/20 0.45

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
SCHEMBL891547 0.86 B3GNT2 (0.48) GAAHSD17B10KDM4EGLALMNA
SCHEMBL891245 0.85 KDM4E (0.48) GAAHSD17B10KDM4EGLALMNA
SCHEMBL891135 0.84 ALDH1A1 (0.62) GAAHSD17B10KDM4EGLALMNA
SCHEMBL15282201 0.83 GAA (0.44) GAAHSD17B10KDM4EGLALMNA
SCHEMBL891057 0.81 MAPT (0.53) GAAHSD17B10KDM4EGLALMNA
SCHEMBL891255 0.80 B3GNT2 (0.44) GAAHSD17B10KDM4EGLALMNA
SCHEMBL891000 0.79 ALDH1A1 (0.48) GAAHSD17B10KDM4EGLALMNA
SCHEMBL891180 0.79 B3GNT2 (0.48) GAAHSD17B10KDM4ELMNAALDH1A1
SCHEMBL891491 0.78 ALDH1A1 (0.56) GAAKDM4EGLAKMT2AMEN1
SCHEMBL891090 0.77 KDM4E (0.50) GAAHSD17B10KDM4EGLALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP claimed
US-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2012-04-05 US disclosed
EP-2268273-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY DENDREON CORPORATION (US) 2011-01-05 EP 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-20120083493-A1 SMALL-MOLECULE MODULATORS OF TRP-P8 ACTIVITY TRPC4, TRPC3, TRPC1 GAA 4591/4885HSD17B10 4266/4885KDM4E 3912/4885

“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.