SCHEMBL4787361

SCHEMBL4787361

COc1ccc(-c2nc(NN3C(=O)C(C)=C(C)C3=O)c(C#N)c(SC)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
RXFP1 Q9HBX9 6/20 0.47
NPSR1 Q6W5P4 4/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 4/20 0.47
KDM4E B2RXH2 3/20 0.47
FOS P01100 1/20 0.38
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
PIM1 P11309 1/20 0.38
ADORA1 P30542 1/20 0.37
PPARG P37231 1/20 0.36
HTT P42858 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL4786404 0.91 ALDH1A1 (0.47) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL8379706 0.88 JUN (0.52) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL4787157 0.87 ALDH1A1 (0.45) ALDH1A1RXFP1NPSR1HPGDKDM4E
SCHEMBL14069780 0.82 ALDH1A1 (0.42) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL7892347 0.81 FOS (0.38) MAPTHPGDFOSJUNNFKB1
SCHEMBL8383262 0.80 NPSR1 (0.43) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL4744572 0.80 MAPT (0.55) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL14070104 0.78 NPSR1 (0.45) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL4786582 0.78 NPSR1 (0.46) ALDH1A1RXFP1NPSR1MAPTHPGD
SCHEMBL4996018 0.77 NPSR1 (0.53) NPSR1FOSJUNNFKB1NFKB2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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 (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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S ALDH1A1 825/4885RXFP1 194/4885NPSR1 992/4885

“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.