SCHEMBL3830865

SCHEMBL3830865

Nc1c(C(=O)N2CC[C@@H](OC3CCCCO3)C2)sc2c1ccc(=O)n2-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
ALOX15 P16050 3/20 0.35
DUSP3 P51452 2/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPK1 P28482 1/20 0.34
TLR9 Q9NR96 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.33
PTPN7 P35236 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3830869 1.00 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10ALOX15DUSP3
SCHEMBL3830861 1.00 ALDH1A1 (0.35) ALDH1A1HPGDHSD17B10ALOX15DUSP3
SCHEMBL3113599 0.88 MAPK14 (0.33)
SCHEMBL1266599 0.84 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10ALOX15DUSP3
SCHEMBL1267029 0.82 POLB (0.33) ALDH1A1NPC1RAB9APOLB
SCHEMBL1266607 0.82 POLB (0.33) ALDH1A1NPC1RAB9APOLB
SCHEMBL3835724 0.81 MAPT (0.32) ALDH1A1USP2MAPTHTTNPC1
SCHEMBL3835721 0.81 MAPT (0.32) ALDH1A1USP2MAPTHTTNPC1
SCHEMBL3835719 0.81 MAPT (0.32) ALDH1A1USP2MAPTHTTNPC1
SCHEMBL1266306 0.79 CCNA2 (0.32) MAPTPOLB

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 1970/4885HPGD 1412/4885HSD17B10 3550/4885

“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.