SCHEMBL3329528

SCHEMBL3329528

COc1cnc2cccc(CNC=O)c2n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 13/20 0.39
MTNR1A P48039 12/20 0.39
NPC1 O15118 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SLC2A1 P11166 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
SCHEMBL592490 0.83 NPC1 (0.40) MTNR1BMTNR1ANPC1HTTRAB9A
SCHEMBL14400280 0.81 NPC1 (0.41) MTNR1BMTNR1ANPC1HTTRAB9A
SCHEMBL592558 0.77 NPC1 (0.40) MTNR1BMTNR1ANPC1HTTRAB9A
SCHEMBL590146 0.77 NPC1 (0.40) MTNR1BMTNR1ANPC1HTTRAB9A
SCHEMBL1712335 0.77 MTNR1B (0.42) MTNR1BMTNR1AKDM4EALDH1A1MAPT
SCHEMBL3407813 0.76 MAPT (0.38) MTNR1BMTNR1ANPC1HTTRAB9A
SCHEMBL591692 0.76 ERN1 (0.39) NPC1HTTRAB9AKDM4EALDH1A1
SCHEMBL3410540 0.76 MTNR1A (0.43) MTNR1BMTNR1ANPC1HTTRAB9A
SCHEMBL6007433 0.75 ADH1B (0.43) RAB9AKDM4EALDH1A1GAAMAPT
SCHEMBL592684 0.75 MEN1 (0.46) MTNR1BMTNR1AKDM4EALDH1A1MAPT

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
EP-2146987-B1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-12-02 EP disclosed
US-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-03 US disclosed
EP-2146987-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-01-27 EP disclosed
WO-2008126024-A2 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-10-23 WO 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-20100137290-A1 OXAZOLIDINONE ANTIBIOTIC DERIVATIVES OXA1L, XDH, CCNY MTNR1B 663/4885MTNR1A 1092/4885NPC1 4201/4885

“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.