SCHEMBL891135

SCHEMBL891135

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.62
GAA P10253 9/20 0.62
HSD17B10 Q99714 9/20 0.62
KDM4E B2RXH2 8/20 0.62
HPGD P15428 7/20 0.62
GLA P06280 6/20 0.62
MAPK1 P28482 1/20 0.48
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
B3GNT2 Q9NY97 1/20 0.47
TSHR P16473 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 3/20 0.45
MAPT P10636 2/20 0.45
MAPK10 P53779 1/20 0.45
TP53 P04637 1/20 0.44

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
SCHEMBL891000 0.88 ALDH1A1 (0.48) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL891245 0.87 KDM4E (0.48) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL891547 0.86 B3GNT2 (0.48) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL891194 0.84 GAA (0.60) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL15282035 0.84 HSD17B10 (0.46) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL891057 0.83 MAPT (0.53) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL891255 0.83 B3GNT2 (0.44) ALDH1A1GAAHSD17B10KDM4EHPGD
SCHEMBL891491 0.81 ALDH1A1 (0.56) ALDH1A1GAAKDM4EGLAKMT2A
SCHEMBL891385 0.78 B3GNT2 (0.51) ALDH1A1HSD17B10KDM4EHPGDMAPK1
SCHEMBL1064027 0.78 B3GNT2 (0.65) ALDH1A1GAAHSD17B10KDM4EHPGD

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 ALDH1A1 4789/4885GAA 4591/4885HSD17B10 4266/4885

“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.