SCHEMBL12829338

SCHEMBL12829338

CCn1nc(/C(C)=N/NC(=S)Nc2ccc(C=O)cc2)c(O)c1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
ALOX12 P18054 1/20 0.38
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESRRG P62508 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CTH P32929 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
KDR P35968 1/20 0.32

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 0.89 MAPT (0.39) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL1483600 0.88 MAPT (0.42) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL12755592 0.88 MAPT (0.42) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL1483603 0.88 MAPT (0.42) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL13748055 0.86 LMNA (0.37) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL13747809 0.81 BCHE (0.38) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL12830102 0.80 MAOA (0.41) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL12830098 0.79 MAOA (0.36) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL12829340 0.78 LMNA (0.43) MAPTALOX12NPC1ALDH1A1L3MBTL1
SCHEMBL1483466 0.78 TDP1 (0.45) MAPTALOX12NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
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 (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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MAPT 3117/4885ALOX12 566/4885NPC1 4084/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 MAPT 2880/4885ALOX12 529/4885NPC1 4068/4885

“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.