SCHEMBL13747809

SCHEMBL13747809

C/C(=N\NC(=S)Nc1ccc(C=O)cc1)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GRM5 P41594 2/20 0.37
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
KIF11 P52732 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDR P35968 1/20 0.34
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
PLK1 P53350 1/20 0.33
CCNA1 P78396 1/20 0.33
HSPA9 P38646 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12829968 0.92 MAPT (0.39) ALDH1A1GAAMAPTHPGDKIF11
SCHEMBL14224008 0.90 GAA (0.39) ACHEALDH1A1GAAMAPTHPGD
SCHEMBL12830089 0.89 ALDH1A1 (0.40) BCHEACHEGRM5ALDH1A1GAA
SCHEMBL12755596 0.88 EPHX2 (0.40) GRM5ALDH1A1GAAMAPTHPGD
SCHEMBL1483783 0.88 EPHX2 (0.40) GRM5ALDH1A1GAAMAPTHPGD
SCHEMBL1483787 0.88 EPHX2 (0.40) GRM5ALDH1A1GAAMAPTHPGD
SCHEMBL12830102 0.86 MAOA (0.41) ALDH1A1GAAMAPTHPGDKDR
SCHEMBL12829591 0.86 ALDH1A1 (0.41) ALDH1A1GAAMAPTHPGDKIF11
SCHEMBL12830136 0.86 CA1 (0.43) BCHEACHEALDH1A1MAPTKIF11
SCHEMBL12830098 0.85 MAOA (0.36) ALDH1A1GAAMAPTHPGDMEN1

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-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 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-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 BCHE 4290/4885ACHE 4518/4885GRM5 739/4885

“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.