SCHEMBL6485985

SCHEMBL6485985

COc1cc(NC(=O)C(=O)NC(C)(C)CN2CCN(CC3CCCCC3)CC2)ccc1-c1cnco1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 9/20 0.66
IMPDH1 P20839 3/20 0.63
AAK1 Q2M2I8 10/20 0.61

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
SCHEMBL6486375 0.96 IMPDH2 (0.69) IMPDH2IMPDH1AAK1
SCHEMBL6486472 0.91 IMPDH2 (0.62) IMPDH2IMPDH1AAK1
SCHEMBL6497741 0.91 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL6495151 0.90 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6497496 0.90 IMPDH2 (0.65) IMPDH2IMPDH1AAK1
SCHEMBL6487332 0.90 IMPDH2 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL6487636 0.89 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL6498609 0.88 IMPDH2 (0.74) IMPDH2IMPDH1AAK1
SCHEMBL6486641 0.87 IMPDH2 (0.68) IMPDH2IMPDH1AAK1
SCHEMBL6497315 0.86 IMPDH2 (0.71) IMPDH2IMPDH1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867299-B2 Inosine monophosphate dehydrogenase (IMPDH); use as immunosuppressants, anticancer agents and antiviral agents HOFFMANN-LA ROCHE INC. (US) 2005-03-15 US disclosed
US-20020052513-A1 Oxamide IMPDH inhibitors HOFFMANN-LA ROCHE INC. 2002-05-02 US disclosed
EP-1127883-A2 Oxamides as IMPDH inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2001-08-29 EP 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-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 IMPDH2 2/4885IMPDH1 1/4885AAK1 2882/4885

“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.