SCHEMBL6506803

SCHEMBL6506803

COc1ccc(Br)c(C(=O)NCCC2SC(NC3CCCCCC3)=NC2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
CTSL P07711 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HPGDS O60760 1/20 0.37
NPC1 O15118 1/20 0.37
NQO2 P16083 3/20 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
SCHEMBL6388618 1.00 POLB (0.54) POLBHPGDMAPTKDM4EMEN1
SCHEMBL6388724 0.88 POLB (0.62) POLBHPGDMAPTKDM4EMEN1
SCHEMBL6390689 0.85 ALDH1A1 (0.50) POLBHPGDMAPTALDH1A1RAB9A
SCHEMBL6392200 0.82 HPGD (0.43) POLBHPGDMAPTKDM4EMEN1
SCHEMBL6499268 0.81 ALDH1A1 (0.47) HPGDMAPTKDM4EMEN1KMT2A
SCHEMBL6501631 0.79 POLB (0.51) POLBHPGDALDH1A1RAB9AHSD17B10
SCHEMBL6386637 0.79 POLB (0.51) POLBHPGDALDH1A1RAB9AHSD17B10
SCHEMBL6387491 0.77 KDM1A (0.39) POLBKMT2AALDH1A1RAB9AMAOA
SCHEMBL6392636 0.77 POLB (0.44) POLBHPGDKMT2ARAB9ACNR1
SCHEMBL6505267 0.77 ATM (0.41) MAPTKDM4EGAACTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 POLB 1038/4885HPGD 66/4885MAPT 3607/4885

“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.