SCHEMBL12829375

SCHEMBL12829375

COc1ccc(-c2scc(/C(C)=N/NC(=S)Nc3ccc(C(=O)O)c(Cl)c3)c2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT5 Q9NXA8 4/20 0.47
ALDH1A1 P00352 7/20 0.44
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX12 P18054 2/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
RORC P51449 1/20 0.38
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37
STAT3 P40763 1/20 0.37
STAT1 P42224 1/20 0.37
GRIK1 P39086 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14553907 0.92 SIRT5 (0.39) SIRT5ALDH1A1MAPTSMN1; SMN2ALOX12
SCHEMBL1483366 0.91 SIRT5 (0.46) SIRT5MAPTRAB9ANPC1
SCHEMBL12829376 0.91 SIRT5 (0.43) SIRT5MAPTALOX12CYP2C9NPC1
SCHEMBL12829353 0.91 SIRT5 (0.46) SIRT5MAPTRAB9ANPC1
SCHEMBL1483365 0.91 SIRT5 (0.46) SIRT5MAPTRAB9ANPC1
SCHEMBL14195590 0.90 AKR1C2 (0.42) SIRT5ALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL13721329 0.90 SIRT5 (0.44) SIRT5ALDH1A1MAPTGAAMAPK1
SCHEMBL12829621 0.90 SIRT5 (0.44) SIRT5ALDH1A1MAPTALOX12GAA
SCHEMBL1483112 0.89 SIRT5 (0.39) SIRT5ALDH1A1MAPTGAAKMT2A
SCHEMBL1483111 0.89 SIRT5 (0.39) SIRT5ALDH1A1MAPTGAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
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-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-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
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 (4 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 SIRT5 3936/4885ALDH1A1 3234/4885MAPT 3117/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SIRT5 3943/4885ALDH1A1 3206/4885MAPT 2880/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SIRT5 3936/4885ALDH1A1 3234/4885MAPT 3117/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 SIRT5 3936/4885ALDH1A1 3234/4885MAPT 3117/4885

“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.