SCHEMBL6071205

SCHEMBL6071205

CC(NC(CC(=O)O)c1ccc2ccccc2n1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CYP1A2 P05177 1/20 0.41
S1PR3 Q99500 1/20 0.41
APAF1 O14727 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PRNP P04156 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
KDM4C Q9H3R0 1/20 0.40
MAPK10 P53779 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GCG P01275 1/20 0.39
TSHR P16473 1/20 0.38
MGAM O43451 1/20 0.38

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
SCHEMBL6071145 0.89 TACR3 (0.44) ALDH1A1HSD17B10GAACYP1A2S1PR3
SCHEMBL6071015 0.85 L3MBTL1 (0.40) ALDH1A1HSD17B10GAACYP1A2S1PR3
SCHEMBL4881660 0.79 SIGMAR1 (0.51) ALDH1A1APAF1
SCHEMBL4875759 0.79 SIGMAR1 (0.51) ALDH1A1APAF1
SCHEMBL4875765 0.79 SIGMAR1 (0.51) ALDH1A1APAF1
SCHEMBL5720996 0.72 KDM4E (0.46) ALDH1A1HSD17B10GAACYP1A2KDM4E
SCHEMBL5721000 0.72 KDM4E (0.46) ALDH1A1HSD17B10GAACYP1A2KDM4E
SCHEMBL4884782 0.71 SIGMAR1 (0.58) HSD17B10APAF1
SCHEMBL4891321 0.71 SIGMAR1 (0.58) HSD17B10APAF1
SCHEMBL21193183 0.71 SIGMAR1 (0.58) HSD17B10APAF1

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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 (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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 ALDH1A1 645/4885HSD17B10 1026/4885GAA 1733/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 ALDH1A1 414/4885HSD17B10 668/4885GAA 1402/4885

“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.