SCHEMBL6501640

SCHEMBL6501640

CC(=O)NC(C)(C)Cc1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.47
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
FDPS P14324 1/20 0.43
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
GAA P10253 1/20 0.41
PTPRB P23467 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
CYP17A1 P05093 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL21160945 0.87 ACACB (0.59) ACACBTSHRALDH1A1CYP3A4CYP2C9
SCHEMBL1932047 0.86 RAB9A (0.49) RAB9ATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL6514301 0.81 ALDH1A1 (0.65) ACACBRAB9AALDH1A1CYP3A4CYP2C9
SCHEMBL3242672 0.81 RAB9A (0.45) RAB9ATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL27561204 0.81 RAB9A (0.49) RAB9ATSHRALDH1A1CYP3A4CYP2C9
SCHEMBL27540464 0.80 CYP17A1 (0.53) ACACBRAB9AALDH1A1CYP3A4CYP2C9
SCHEMBL3640956 0.80 ACACB (0.54) ACACBRAB9ATSHRALDH1A1CYP3A4
SCHEMBL564817 0.80 ACACB (0.57) ACACBTSHRALDH1A1CYP3A4CYP2C9
SCHEMBL4065071 0.79 ALDH1A1 (0.50) RAB9ATSHRALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL25343093 0.79 RAB9A (0.43) RAB9AALDH1A1CYP3A4CYP2C9CYP2C19

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
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
CN-1310179-A Oxamide being as IMPDH inhibitor HOFFMANN LA ROCHE (CH) 2001-08-29 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-20020052513-A1 Oxamide IMPDH inhibitors IMPDH1, IMPDH2, IMPA1 ACACB 875/4885RAB9A 3252/4885TSHR 4072/4885

“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.