SCHEMBL6497151

SCHEMBL6497151

CC(C)(C)NC(=O)C(=O)Nc1ccc(-c2cnco2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 14/20 1.00
IMPDH1 P20839 11/20 1.00
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 2/20 0.56
PKM P14618 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
AAK1 Q2M2I8 1/20 0.53
JAK3 P52333 1/20 0.51

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
SCHEMBL27571122 0.84 IMPDH2 (0.71) IMPDH2IMPDH1MEN1KMT2ANPC1
SCHEMBL6488727 0.80 IMPDH2 (1.00) IMPDH2IMPDH1
SCHEMBL27561207 0.80 IMPDH2 (0.67) IMPDH2IMPDH1MEN1KMT2ANPC1
SCHEMBL28985219 0.80 KMT2A (0.67) IMPDH2IMPDH1MEN1KMT2ANPC1
SCHEMBL27542606 0.79 IMPDH2 (0.64) IMPDH2IMPDH1NPC1KDM4EPKM
SCHEMBL27561214 0.79 IMPDH2 (0.64) IMPDH2IMPDH1MEN1KMT2ANPC1
SCHEMBL1474014 0.78 IMPDH2 (1.00) IMPDH2IMPDH1AAK1
SCHEMBL6484655 0.78 IMPDH2 (0.64) IMPDH2IMPDH1MEN1KMT2ANPC1
SCHEMBL20620242 0.76 IMPDH2 (0.61) IMPDH2IMPDH1MEN1KMT2ANPC1
SCHEMBL7552277 0.75 IMPDH2 (0.60) IMPDH2IMPDH1MEN1KMT2ANPC1

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 1/4885MEN1 2996/4885

“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.