SCHEMBL3464039

SCHEMBL3464039

CN(C)S(=O)(=O)CNc1ccc(C(N)=O)cn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.55
EPHX2 P34913 1/20 0.46
HCAR3 P49019 4/20 0.46
HCAR2 Q8TDS4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3132342 0.84 NNMT (0.59) NNMTEPHX2HCAR3HCAR2SMN1; SMN2
SCHEMBL3129465 0.78 NNMT (0.59) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL11546416 0.77 HCAR3 (0.73) NNMTEPHX2HCAR3HCAR2SMN1; SMN2
SCHEMBL3464045 0.77 HPGD (0.36) HCAR3SMN1; SMN2
SCHEMBL3465091 0.77 NNMT (0.58) NNMTEPHX2HCAR3
SCHEMBL1877716 0.73 NNMT (0.65) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL5205802 0.73 NNMT (0.60) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL6700940 0.72 NNMT (0.59) NNMTEPHX2HCAR3HCAR2SMN1; SMN2
SCHEMBL4320704 0.72 NNMT (1.00) NNMTEPHX2HCAR3SMN1; SMN2
SCHEMBL30492154 0.72 NNMT (0.58) NNMTEPHX2HCAR3SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346868-B1 AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-01-27 EP disclosed
US-8338610-B2 Pyridinyl compounds useful as intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-25 US disclosed
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-31 US disclosed
US-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 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-20100093724-A1 Azaindazole Compounds As CCR1 Receptor Antagonists CCR1, CCR3, CCR4 NNMT 1562/4885EPHX2 2057/4885HCAR3 46/4885
US-20120136158-A1 Pyridinyl Compounds Useful As Intermediates CCR1, CCRL2, CCR4 NNMT 957/4885EPHX2 808/4885HCAR3 450/4885

“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.