SCHEMBL4155871

SCHEMBL4155871

NC(=O)c1[nH]ccc1[CH]Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.38
PLA2G2A P14555 1/20 0.38
PAX8 Q06710 1/20 0.35
MAOB P27338 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TOP1 P11387 1/20 0.33
PARP10 Q53GL7 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ADRA1D P25100 1/20 0.33

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
SCHEMBL4152679 0.88 GPR52 (0.39) PLA2G10PLA2G2A
SCHEMBL13516865 0.70 HAO1 (0.36) PLA2G10PLA2G2APAX8MAOBL3MBTL1
SCHEMBL4210739 0.67 TAAR1 (0.39) L3MBTL1POLBPARP1TSHRHSD17B10
SCHEMBL17604415 0.66 BCAT2 (0.50) L3MBTL1POLBCYP3A4PARP1MAPT
SCHEMBL21274657 0.66 POLB (0.61) L3MBTL1PARP10POLBTSHRHSD17B10
SCHEMBL295277 0.64 MAOB (0.48) PLA2G10PLA2G2AMAOBTOP1CYP2C19
SCHEMBL5115664 0.64 KDM4E (0.43) L3MBTL1PARP1MAPTTSHRHSD17B10
SCHEMBL442434 0.63 MAOB (0.52) MAOBTOP1TSHRCYP2C19CES2
SCHEMBL15941726 0.63 TRPA1 (0.47) MAOBNPSR1POLBMAPTHSD17B10
SCHEMBL5653478 0.63 KEAP1 (0.41) L3MBTL1POLBCYP3A4PARP1MAPT

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 4 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
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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 (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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD PLA2G10 1159/4885PLA2G2A 1246/4885PAX8 3051/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PLA2G10 2618/4885PLA2G2A 3424/4885PAX8 4465/4885

“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.