SCHEMBL7213463

SCHEMBL7213463

NC(=O)[C@@H]1CCN(Cc2cc3ncccc3o2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
F10 P00742 5/20 0.35
PRSS1 P07477 3/20 0.35
PLAT P00750 2/20 0.35
PROC P04070 2/20 0.35
F2 P00734 1/20 0.35
PLG P00747 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
LTA4H P09960 3/20 0.33
MET P08581 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
LMNA P02545 1/20 0.32
MGLL Q99685 2/20 0.32

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
SCHEMBL6244785 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
SCHEMBL7220151 0.84 CHRNB2 (0.41) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL7218824 0.83 CHRNB2 (0.40) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL7218826 0.83 CHRNB2 (0.40) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL6439401 0.79 F2 (0.37) F10PRSS1F2
SCHEMBL7213543 0.76 KDM4D (0.38) CHRNB2CHRNA4CHRM2CHRM4CHRM5
Trifluoroacetic Acid SCHEMBL7215801 0.72 RBP4 (0.40) F10PRSS1PLATPROCF2
SCHEMBL2686767 0.70 MEN1 (0.41) F10ALDH1A1
SCHEMBL7921780 0.70 MET (0.40) F10PRSS1PLATPROCF2
SCHEMBL6224791 0.70 MET (0.40) F10PRSS1PLATPROCF2

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
EP-0944386-B1 SULFONIC ACID OR SULFONYLAMINO N-(HETEROARALKYL)-AZAHETEROCYCLYLAMIDE COMPOUNDS AVENTIS PHARMA INC (US) 2002-09-18 EP claimed
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 CN claimed
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
CN-1244798-A Sulfonic acid or sulfonylamino N-(heteroaralkyl)-azaheterocyclylamide compounds RHONE POULENC RORER PHARMA (US) 2000-02-16 CN 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 CHRNB2 4077/4885CHRNA4 4109/4885CHRM2 3321/4885

“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.