SCHEMBL6506994

SCHEMBL6506994

O=C(OCCC1SC(NC2CC3C=CC2C3)=NC1=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.35
MEN1 O00255 4/20 0.33
AGTR1 P30556 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
TNNI3 P19429 1/20 0.32
MAPK1 P28482 1/20 0.32
TNNT2 P45379 1/20 0.32
TNNC1 P63316 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
P2RX7 Q99572 2/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL6499622 0.90 HPGD (0.35) KMT2AMEN1HTTL3MBTL1SMN1; SMN2
SCHEMBL6505095 0.89 KDM4E (0.32) L3MBTL1KDM4EMAPT
SCHEMBL6499655 0.86 ALDH1A1 (0.30)
SCHEMBL6503874 0.85 KMT2A (0.36) KMT2AAGTR1KDM4E
SCHEMBL6508913 0.85 POLB (0.40) KMT2AMEN1L3MBTL1SMN1; SMN2TDP1
SCHEMBL6510626 0.82 TDP1 (0.34) KMT2AMEN1MAPK1SMN1; SMN2TDP1
SCHEMBL6497945 0.82 NTRK1 (0.30)
SCHEMBL6429803 0.81 RAB9A (0.38) SMN1; SMN2TDP1KDM4EMAPT
SCHEMBL6506122 0.80 KMT2A (0.42) KMT2AMEN1AGTR1HTTL3MBTL1
SCHEMBL6506231 0.80 KMT2A (0.37) KMT2AHTTMAPK1KDM4EMAPT

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 KMT2A 3213/4885MEN1 979/4885AGTR1 343/4885

“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.