SCHEMBL4098188

SCHEMBL4098188

CC(C)(C)OC(=O)NC(=O)c1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.51
NAMPT P43490 2/20 0.51
ALDH1A1 P00352 2/20 0.50
GAA P10253 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.47
KDM4E B2RXH2 2/20 0.47
MPO P05164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL21584892 0.84 EPHX1 (0.54) ALDH1A1GAAKDM4EPOLBSMN1; SMN2
SCHEMBL479747 0.82 NAMPT (0.58) NAMPTALDH1A1GAALMNAKDM4E
SCHEMBL7271571 0.82 ALDH1A1 (0.57) ALDH1A1GAATP53KDM4EMPO
SCHEMBL6815524 0.81 NAMPT (0.71) CYP17A1NAMPTALDH1A1GAALMNA
SCHEMBL4749029 0.81 MAPT (0.55) NAMPTALDH1A1GAATP53SMN1; SMN2
SCHEMBL29244927 0.80 SCN9A (0.43) CYP17A1NAMPTKDM4EMPOCYP1A2
SCHEMBL1353863 0.79 CYP17A1 (0.47) CYP17A1NAMPTGAAMEN1KMT2A
SCHEMBL15588634 0.79 MEN1 (0.46) NAMPTGAALMNATP53KDM4E
SCHEMBL10603751 0.79 NAMPT (0.45) NAMPTALDH1A1GAALMNAPOLB
SCHEMBL27449503 0.79 MAPT (0.53) NAMPTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 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 (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-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 CYP17A1 358/4885NAMPT 391/4885ALDH1A1 104/4885

“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.