SCHEMBL4152679

SCHEMBL4152679

NC(=O)c1[nH]ccc1[CH]CCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 10/20 0.39
GRIK1 P39086 1/20 0.38
LMNA P02545 1/20 0.36
KEAP1 Q14145 1/20 0.36
PLA2G10 O15496 1/20 0.36
PLA2G2A P14555 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35
HDAC3 O15379 1/20 0.34
MAPK1 P28482 1/20 0.34
ADRA1A P35348 1/20 0.34
HDAC4 P56524 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL4155871 0.88 PLA2G10 (0.38) PLA2G10PLA2G2A
SCHEMBL3730290 0.67 GPR52 (0.50) GPR52GRIK1LMNAKEAP1HDAC3
SCHEMBL6535023 0.65 GPR52 (0.44) GPR52
Urea SCHEMBL2006220 0.65 FFAR1 (0.62) LMNAKEAP1PLA2G10PLA2G2AHDAC3
Carbamic Acid SCHEMBL2222080 0.65 FFAR1 (0.62) LMNAKEAP1PLA2G10PLA2G2AHDAC3
SCHEMBL3174683 0.64 GPR52 (0.66) GPR52
SCHEMBL16313909 0.64 GPR52 (0.66) GPR52
SCHEMBL3174689 0.64 GPR52 (0.66) GPR52
SCHEMBL5744602 0.64 GRIK1 (0.57) GPR52GRIK1LMNAKEAP1HDAC3
SCHEMBL5744604 0.64 GRIK1 (0.57) GPR52GRIK1LMNAKEAP1HDAC3

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
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD GPR52 2499/4885GRIK1 4040/4885LMNA 698/4885

“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.