SCHEMBL6487700

SCHEMBL6487700

COC(=O)C(=O)Nc1cccc(CN(C=O)OC(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
USP2 O75604 1/20 0.35
PTGES O14684 1/20 0.35
KDM1A O60341 1/20 0.35
BRD4 O60885 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
TAS1R2 Q8TE23 1/20 0.34
LMNA P02545 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
SCHEMBL6500462 0.89 GPR35 (0.47) BCHEMAOAACHEMAOBPDK1
SCHEMBL5548483 0.78 LOXL2 (0.52) SMN1; SMN2RAB9AKMT2A
SCHEMBL7662463 0.76 S1PR1 (0.39) MAOBPDK1PDK2PDK3PDK4
SCHEMBL5604152 0.75 MEP1B (0.46) SMN1; SMN2RAB9ANR1H4
SCHEMBL11503179 0.75 CYP1A2 (0.45) NR1H4
SCHEMBL2279518 0.74 PDK1 (0.54) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL4518626 0.73 HSD11B1 (0.38) MAOAACHEMAOB
SCHEMBL5663890 0.73 LOXL2 (0.38) SMN1; SMN2
SCHEMBL3865771 0.73 ENPP2 (0.44)
SCHEMBL6487702 0.72 BRD4 (0.50) SMN1; SMN2RAB9ABRD4LMNAKMT2A

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 BCHE 874/4885MAOA 331/4885ACHE 1827/4885

“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.