SCHEMBL3835904

SCHEMBL3835904

CCN1CCN(C(=O)c2sc3c(ccc(=O)n3-c3ccccc3)c2Br)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
PARP1 P09874 1/20 0.45
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
PTPN7 P35236 1/20 0.40
DUSP3 P51452 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
HSD11B1 P28845 2/20 0.39
GAA P10253 2/20 0.38
RAB9A P51151 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL3832893 0.88 ALDH1A1 (0.45) ALDH1A1PARP1RXFP1MAPTHPGD
SCHEMBL2956227 0.85 ALDH1A1 (0.43) ALDH1A1PARP1RXFP1MAPTHPGD
SCHEMBL1266143 0.81 ADORA2B (0.36) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL2947085 0.78 KMT2A (0.45) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL1267416 0.78 ALDH1A1 (0.36) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL1265759 0.77 MAPT (0.52) ALDH1A1MAPTHPGDGAAKDM4E
SCHEMBL3837287 0.76 KMT2A (0.38) ALDH1A1MAPTHPGDALOX15HTT
SCHEMBL1267138 0.75 HRH3 (0.39) RAB9ALMNAL3MBTL1HRH3
SCHEMBL5648449 0.74 ALDH1A1 (0.51) ALDH1A1PARP1RXFP1MAPTHPGD
SCHEMBL3831132 0.73 ALDH1A1 (0.54) ALDH1A1MAPTHPGDALOX15HTT

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-7482452-B2 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2009-01-27 US disclosed
EP-1638980-B1 PROCESS FOR PREPARING 3-AMINOTHIENOPYRIDONE DERIVATIVES UCB PHARMA SA (BE) 2008-11-05 EP disclosed
US-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives CELLTECH R&D LIMITED (GB) 2007-08-16 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-20070191608-A1 Process for preparing 3-aminothienopyridone derivatives MAPK3, MAP3K6, MAP4K1 ALDH1A1 1970/4885PARP1 726/4885RXFP1 4812/4885

“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.