SCHEMBL1483545

SCHEMBL1483545

CC(=NNC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1nn(C)c(-c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 2/20 0.38
AKR1C1 Q04828 1/20 0.38
DHODH Q02127 1/20 0.36
MAPT P10636 4/20 0.35
ALOX12 P18054 1/20 0.35
NR1H4 Q96RI1 3/20 0.35
XDH P47989 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
ACLY P53396 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SIRT5 Q9NXA8 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 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
SCHEMBL12829979 1.00 AKR1C2 (0.38) AKR1C2AKR1C1DHODHMAPTALOX12
SCHEMBL1483543 1.00 AKR1C2 (0.38) AKR1C2AKR1C1DHODHMAPTALOX12
SCHEMBL1483504 0.93 SIRT5 (0.41) AKR1C2MAPTNPSR1ALDH1A1GAA
SCHEMBL12829739 0.93 SIRT5 (0.41) AKR1C2MAPTNPSR1ALDH1A1GAA
SCHEMBL1483502 0.93 SIRT5 (0.41) AKR1C2MAPTNPSR1ALDH1A1GAA
SCHEMBL1484319 0.92 MAPT (0.36) AKR1C2AKR1C1DHODHMAPTALOX12
SCHEMBL1484317 0.92 MAPT (0.36) AKR1C2AKR1C1DHODHMAPTALOX12
SCHEMBL1483062 0.92 SIRT5 (0.40) MAPTPPARAACLYALDH1A1GAA
SCHEMBL12829351 0.92 SIRT5 (0.40) MAPTPPARAACLYALDH1A1GAA
SCHEMBL1483060 0.92 SIRT5 (0.40) MAPTPPARAACLYALDH1A1GAA

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-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-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (5 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 AKR1C2 1553/4885AKR1C1 1425/4885DHODH 1558/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 AKR1C2 1462/4885AKR1C1 1338/4885DHODH 1499/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AKR1C2 1506/4885AKR1C1 1374/4885DHODH 1535/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AKR1C2 1553/4885AKR1C1 1425/4885DHODH 1558/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 AKR1C2 1553/4885AKR1C1 1425/4885DHODH 1558/4885

“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.