SCHEMBL2724048

SCHEMBL2724048

COC(=O)c1cc(N)ccc1-c1ccoc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
NR4A2 P43354 1/20 0.47
KDM4E B2RXH2 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP46A1 Q9Y6A2 1/20 0.43
ABCB1 P08183 1/20 0.41
ATM Q13315 2/20 0.39
CFTR P13569 2/20 0.39
USP2 O75604 1/20 0.39
PAX8 Q06710 1/20 0.39
GOPC Q9HD26 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL9705197 0.81 GAA (0.65) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL4944459 0.80 NR4A2 (0.44) GAANR4A2KDM4ECYP1A2CYP2D6
SCHEMBL2726928 0.79 GAA (0.54) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2726214 0.77 CFTR (0.58) GAANR4A2KDM4EABCB1ATM
SCHEMBL1982854 0.77 SLC6A3 (0.61) GAANR4A2KDM4ECYP1A2CYP2D6
SCHEMBL1317325 0.75 NR4A2 (0.57) GAANR4A2KDM4EATMCFTR
SCHEMBL419910 0.75 NR4A2 (0.57) GAANR4A2KDM4EATMCFTR
SCHEMBL19899928 0.74 KDM4E (0.49) GAANR4A2KDM4EATMCFTR
SCHEMBL20242383 0.74 IMPDH2 (0.48) GAAKDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL2393050 0.74 CFTR (0.64) GAANR4A2KDM4EATMCFTR

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
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 WO 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB GAA 387/4885NR4A2 3029/4885KDM4E 1541/4885

“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.