SCHEMBL6423480

SCHEMBL6423480

O=C(O)[C@@H]1CCCN1Cc1cccc(-c2nc(=O)c3ccccc3s2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
PDCD1 Q15116 12/20 0.45
CD274 Q9NZQ7 12/20 0.45
CYP2C19 P33261 1/20 0.44
MIF P14174 1/20 0.43
GABRA1 P14867 1/20 0.43
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
ENPP2 Q13822 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2956447 0.83 ACE (0.41) MIFGABRA1
SCHEMBL2961448 0.83 ACE (0.41) MIFGABRA1
SCHEMBL2964054 0.78 MIF (0.51) MIFGABRA1SMN1; SMN2
SCHEMBL2949821 0.77 MIF (0.46) MIFGABRA1SMN1; SMN2
SCHEMBL2958775 0.76 KDM4E (0.47) MIFGABRA1SMN1; SMN2
SCHEMBL2959069 0.76 MIF (0.56) CYP1A2CYP2C19MIFGABRA1SMN1; SMN2
SCHEMBL13199817 0.74 CXCR4 (0.52) MIFGABRA1SMN1; SMN2
SCHEMBL2961677 0.74 MIF (0.59) CYP1A2CYP2C19MIFGABRA1SMN1; SMN2
SCHEMBL2959722 0.74 MIF (0.53) CYP1A2CYP2C19MIFGABRA1SMN1; SMN2
SCHEMBL2956546 0.74 MIF (0.53) CYP1A2CYP2C19MIFGABRA1SMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-02-10 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-20050032786-A1 1, 3-benzothiazinone derivatives and use thereof MIF, MORF4L1, FOXM1 CYP1A2 2284/4885PDCD1 558/4885CD274 427/4885

“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.