SCHEMBL6501631

SCHEMBL6501631

COc1cccc(OC)c1C(=O)NCCC1SC(NC2CCCCC2)=NC1=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
DRD2 P14416 1/20 0.40
SELP P16109 2/20 0.38
TYRO3 Q06418 2/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 1/20 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
SCHEMBL6386637 1.00 POLB (0.51) POLBL3MBTL1TAAR1DRD2SELP
SCHEMBL6392368 0.85 CCNA2 (0.41) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6390900 0.85 CCNA2 (0.41) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6388703 0.85 CCNA2 (0.41) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6506411 0.84 SMN1; SMN2 (0.44) L3MBTL1
SCHEMBL6390689 0.83 ALDH1A1 (0.50) POLBL3MBTL1NPC1RAB9AALDH1A1
SCHEMBL6504984 0.81 SMN1; SMN2 (0.44) POLBNPC1RAB9AHPGDHCRTR1
SCHEMBL6388874 0.81 SMN1; SMN2 (0.44) POLBNPC1RAB9AHPGDHCRTR1
SCHEMBL6387573 0.81 SMN1; SMN2 (0.44) POLBNPC1RAB9AHPGDHCRTR1
SCHEMBL6504082 0.81 MEN1 (0.39) POLBTAAR1DRD2ALDH1A1HCRTR1

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 1038/4885L3MBTL1 4470/4885TAAR1 1806/4885

“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.