SCHEMBL6504082

SCHEMBL6504082

COc1cccc(OC)c1C(=O)NCCC1SC(NC2CC3C=CC2C3)=NC1=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
DRD2 P14416 1/20 0.34
HCRTR1 O43613 5/20 0.33
HCRTR2 O43614 4/20 0.33
CFTR P13569 1/20 0.33

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
SCHEMBL6506173 0.86 SMN1; SMN2 (0.37) MEN1ALDH1A1KMT2APOLB
SCHEMBL6500555 0.86 L3MBTL1 (0.35) MEN1ALDH1A1KMT2APOLB
SCHEMBL6498497 0.85 TP53 (0.41) MEN1ALDH1A1KMT2ACFTR
SCHEMBL6388738 0.83 POLB (0.43) POLBHCRTR1
SCHEMBL6392731 0.81 EPHX2 (0.33) ALDH1A1
SCHEMBL6386637 0.81 POLB (0.51) ALDH1A1POLBTAAR1DRD2HCRTR1
SCHEMBL6501631 0.81 POLB (0.51) ALDH1A1POLBTAAR1DRD2HCRTR1
SCHEMBL6392200 0.81 HPGD (0.43) MEN1ALDH1A1KMT2APOLB
SCHEMBL14440562 0.81 NAMPT (0.39) MEN1KMT2APOLB
SCHEMBL6506781 0.80 P2RX7 (0.39) ALDH1A1POLB

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 MEN1 979/4885ALDH1A1 67/4885KMT2A 3213/4885

“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.