SCHEMBL7213543

SCHEMBL7213543

CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cc3ncccc3o2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
FPR2 P25090 1/20 0.36
F10 P00742 5/20 0.36
PRSS1 P07477 3/20 0.36
F2 P00734 2/20 0.36
PDE10A Q9Y233 2/20 0.36
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLAT P00750 2/20 0.34
PROC P04070 2/20 0.34
PLG P00747 1/20 0.34
SCN9A Q15858 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL27503678 0.79 F10 (0.36) KDM4DFPR2F10PRSS1F2
SCHEMBL27502242 0.78 CHRNB2 (0.37) KDM4DCHRNB2CHRNA4F10PRSS1
SCHEMBL7219983 0.77 FPR2 (0.36) KDM4DFPR2F10PRSS1F2
SCHEMBL7219985 0.77 FPR2 (0.36) KDM4DFPR2F10PRSS1F2
SCHEMBL7213463 0.76 CHRNB2 (0.38) CHRNB2CHRNA4F10PRSS1F2
SCHEMBL4760780 0.75 KMT2A (0.43) KDM4DFPR2F10PRSS1F2
SCHEMBL7927436 0.75 KMT2A (0.56) FPR2KMT2AL3MBTL1SCN9A
SCHEMBL6244785 0.75 CHRNB2 (0.41) CHRNB2CHRNA4F10PRSS1F2
SCHEMBL6818563 0.75 KMT2A (0.56) FPR2KMT2AL3MBTL1SCN9A
SCHEMBL7936884 0.75 KMT2A (0.56) FPR2KMT2AL3MBTL1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602864-B1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-08-05 US disclosed
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP disclosed
US-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-01-31 US disclosed
US-6281227-B1 INHIBITORS OF THE ACTIVITY OF FACTOR XA. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-08-28 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-20020013310-A1 Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds STS, ARSA, F12 KDM4D 4645/4885CHRNB2 4077/4885CHRNA4 4109/4885

“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.