SCHEMBL2138598

SCHEMBL2138598

O=C(c1ccccc1)c1ccc2nc(NC(=O)c3csc(C4CCN(S(=O)(=O)c5cccs5)CC4)n3)[nH]c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.67
NFKB2 Q00653 1/20 0.67
RELA Q04206 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.55
ABL1 P00519 6/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 4/20 0.44
USP2 O75604 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
HIF1A Q16665 2/20 0.44
ABCC4 O15439 1/20 0.44
KDR P35968 1/20 0.44
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
NPC1 O15118 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL30316128 0.80 NFKB1 (1.00) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2139370 0.80 NFKB1 (1.00) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2142554 0.80 NFKB1 (0.66) NFKB1NFKB2RELASMN1; SMN2ABL1
SCHEMBL27735776 0.80 NFKB1 (0.70) NFKB1NFKB2RELASMN1; SMN2ABL1
SCHEMBL14046922 0.79 NFKB1 (0.71) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2139666 0.78 NFKB1 (0.69) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2141296 0.77 NFKB1 (0.72) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2139185 0.77 NFKB1 (0.66) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2137790 0.77 NFKB1 (0.78) NFKB1NFKB2RELAABL1ALDH1A1
SCHEMBL2136321 0.74 NFKB1 (0.89) NFKB1NFKB2RELASMN1; SMN2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
US-20110052532-A1 Pharmaceutical composition comprising a cytokine STROBL STEFAN 2011-03-03 US disclosed
EP-1977759-A1 Pharmaceutical composition comprising a cytokine 4SC AG (DE) 2008-10-08 EP disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 US disclosed
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE 4SC AG (DE) 2008-10-02 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 (2 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-20110052532-A1 Pharmaceutical composition comprising a cytokine IL2, IL17A, IFNG NFKB1 348/4885NFKB2 161/4885RELA 616/4885
US-20080241100-A1 PHARMACEUTICAL COMPOSITION COMPRISING A CYTOKINE IL2, IL17A, IFNG NFKB1 348/4885NFKB2 161/4885RELA 616/4885

“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.