SCHEMBL6498497

SCHEMBL6498497

COc1ccc(C(=O)NCCC2SC(NC3CC4C=CC3C4)=NC2=O)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 3/20 0.41
NAMPT P43490 1/20 0.40
KMT2A Q03164 4/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
MEN1 O00255 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
CFTR P13569 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL6392200 0.89 HPGD (0.43) MAPTLMNAKMT2ANPC1RAB9A
SCHEMBL6503540 0.87 MEN1 (0.39) MAPTKMT2ANPC1RAB9AMEN1
SCHEMBL6429092 0.80 PARP1 (0.33)
SCHEMBL6427119 0.79 PPARD (0.38) TP53MAPTLMNAGAA
SCHEMBL6506208 0.78 POLB (0.34) MAPTKMT2AALDH1A1HPGDGAA
SCHEMBL6506173 0.77 SMN1; SMN2 (0.37) LMNAKMT2ANPC1RAB9AALDH1A1
SCHEMBL14440562 0.76 NAMPT (0.39) NAMPTKMT2ANPC1RAB9AMEN1
SCHEMBL6498589 0.76 KEAP1 (0.35) GAAHDAC3HDAC1
SCHEMBL1605544 0.75 RAB9A (0.40) MAPTKMT2ANPC1RAB9AGAA
SCHEMBL14531211 0.75 RAB9A (0.40) MAPTKMT2ANPC1RAB9AGAA

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 TP53 4022/4885MAPT 3607/4885LMNA 1964/4885

“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.