SCHEMBL12829591

SCHEMBL12829591

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 2/20 0.38
SLC2A1 P11166 1/20 0.37
GAA P10253 2/20 0.35
TYR P14679 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDR P35968 1/20 0.33
KIF11 P52732 1/20 0.32
MAPK1 P28482 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
SCHEMBL14224023 0.89 ALDH1A1 (0.43) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL12829599 0.89 MAOA (0.34) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL14224278 0.88 GRM5 (0.37) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL12830102 0.87 MAOA (0.41) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL12829968 0.87 MAPT (0.39) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL1483300 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL1483298 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL12755613 0.87 ALDH1A1 (0.45) ALDH1A1MAPTLMNAKDM4EKMT2A
SCHEMBL13747809 0.86 BCHE (0.38) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL12830098 0.86 MAOA (0.36) ALDH1A1MAPTLMNAKDM4EKMT2A

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-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

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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885MAPT 3117/4885LMNA 4688/4885

“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.