SCHEMBL891090

SCHEMBL891090

CCN(CC)CCNC(=O)c1cccc2[nH]c(=O)n(CCN)c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 7/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 4/20 0.48
GAA P10253 3/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.48
GLA P06280 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
EGFR P00533 2/20 0.44
POLR1A O95602 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 2/20 0.41
SLC22A2 O15244 1/20 0.41
SLC22A1 O15245 1/20 0.41
ACHE P22303 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.40
PMP22 Q01453 1/20 0.40

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
SCHEMBL15282015 0.83 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL891194 0.77 GAA (0.60) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL2960319 0.76 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL15282201 0.71 GAA (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6768286 0.70 BRD4 (0.44) KDM4EHTTLMNAKMT2ATSHR
SCHEMBL9064494 0.68 ALDH1A1 (0.79) KDM4EALDH1A1HPGDLMNAEGFR
SCHEMBL19114058 0.68 CYP1A2 (0.42) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL11374040 0.68 ALDH1A1 (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Hydrochloric Acid SCHEMBL11570479 0.67 ALDH1A1 (0.60) KDM4EALDH1A1HPGDLMNATSHR
SCHEMBL24503506 0.66 ALDH1A1 (0.71) KDM4EALDH1A1HPGDHTTLMNA

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 KDM4E 3912/4885ALDH1A1 4789/4885HPGD 1644/4885

“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.