SCHEMBL6499622

SCHEMBL6499622

O=C(OCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 4/20 0.32
NPC1 O15118 2/20 0.32
HTT P42858 2/20 0.32
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
JAK2 O60674 1/20 0.32
S1PR2 O95136 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
S1PR4 O95977 1/20 0.31
HSP90AA1 P07900 1/20 0.31
XBP1 P17861 1/20 0.31
S1PR1 P21453 1/20 0.31
TLR9 Q9NR96 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
SCHEMBL6506994 0.90 KMT2A (0.35) MAPTL3MBTL1MEN1KMT2AHTT
SCHEMBL6510626 0.87 TDP1 (0.34) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL6429803 0.86 RAB9A (0.38) MAPTALDH1A1LMNANPC1RAB9A
SCHEMBL6503874 0.85 KMT2A (0.36) HPGDALDH1A1KMT2A
SCHEMBL6506781 0.85 P2RX7 (0.39) HPGDALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6505095 0.85 KDM4E (0.32) MAPTALDH1A1L3MBTL1
SCHEMBL6499655 0.84 ALDH1A1 (0.30) ALDH1A1RAB9A
SCHEMBL6503577 0.83 ALDH1A1 (0.34) HPGDMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL6506231 0.82 KMT2A (0.37) MAPTALDH1A1KMT2AHTTRAB9A
SCHEMBL6389758 0.82 RECQL (0.31)

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 HPGD 66/4885MAPT 3607/4885ALDH1A1 67/4885

“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.