SCHEMBL5340338

SCHEMBL5340338

CC(C)(C)OC(=O)Nc1nc2ccc(O)cc2n1Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ACSS2 Q9NR19 1/20 0.49
BRD4 O60885 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TSHR P16473 3/20 0.47
HSD17B10 Q99714 3/20 0.47
HTT P42858 2/20 0.47
NOD1 Q9Y239 3/20 0.46
ALDH1A1 P00352 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
NOD2 Q9HC29 2/20 0.44
HPGD P15428 2/20 0.43
ESR1 P03372 1/20 0.43
GAA P10253 2/20 0.43

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
SCHEMBL5351831 0.84 CYP1A2 (0.75) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL29708230 0.81 ACSS2 (0.43) ACSS2BRD4KDM4ETSHRHSD17B10
SCHEMBL28362260 0.81 ACSS2 (0.43) ACSS2BRD4KDM4ETSHRHSD17B10
SCHEMBL14375451 0.80 CYP1A2 (0.45) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL11964456 0.73 GAA (0.49) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL17833669 0.72 BRD4 (0.58) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL5033448 0.71 LMNA (0.48) CYP2C9CYP2C19LMNASMN1; SMN2MEN1
SCHEMBL6302571 0.71 TSHR (0.50) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL8423594 0.70 CYP1A2 (1.00) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2
SCHEMBL12635697 0.70 MAPT (0.57) CYP2C9CYP1A2CYP2C19LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 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 (2 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 CYP2C9 3485/4885CYP1A2 1291/4885CYP2C19 2702/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 CYP2C9 3485/4885CYP1A2 1291/4885CYP2C19 2702/4885

“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.