SCHEMBL4244796

SCHEMBL4244796

COc1cc(NC(=O)C2CCCCC2)ccc1-c1n[nH]c(=S)o1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 4/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 1/20 0.49
GRM4 Q14833 1/20 0.48
HSD17B10 Q99714 4/20 0.47
PPARG P37231 2/20 0.47
NCOA2 Q15596 2/20 0.47
NCOA1 Q15788 2/20 0.47
RXFP1 Q9HBX9 2/20 0.47
MAPK1 P28482 1/20 0.47
USP2 O75604 1/20 0.47
PRNP P04156 1/20 0.47
MAPK10 P53779 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL4247020 0.85 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL4249127 0.85 HPGD (0.49) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4246510 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDKMT2APOLB
SCHEMBL13878314 0.80 POLB (0.51) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4238485 0.80 PTPN1 (0.59) KDM4EHPGDMEN1KMT2APOLB
SCHEMBL4241931 0.79 MEN1 (0.65) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL4250930 0.75 KMT2A (0.54) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL28500867 0.73 POLB (0.64) ALDH1A1KDM4EHPGDPOLBGRM4
SCHEMBL30870166 0.73 POLB (0.64) ALDH1A1KDM4EHPGDPOLBGRM4
SCHEMBL4247010 0.72 EGFR (0.56) ALDH1A1KDM4EHPGDKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2009-04-23 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-20090105217-A1 2-PHENYL-5-AMINO-1,3,4-OXADIAZOLES AND THEIR USE AS NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA2 ALDH1A1 780/4885KDM4E 3074/4885HPGD 1075/4885

“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.