SCHEMBL1483440

SCHEMBL1483440

C/C(=N/NC(=O)c1ccc(C(=O)O)cc1)c1csc(-c2ccc(C(C)(C)C)cc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.53
AGTR1 P30556 1/20 0.47
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM1A O60341 1/20 0.41
SRD5A2 P31213 1/20 0.41
NR1H4 Q96RI1 3/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EPHX2 P34913 2/20 0.40
GRIN2C Q14957 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MTOR P42345 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13720700 1.00 ESRRG (0.53) ESRRGAGTR1ALDH1A1MAPTKDM4E
SCHEMBL1483442 1.00 ESRRG (0.53) ESRRGAGTR1ALDH1A1MAPTKDM4E
SCHEMBL3978275 0.90 MTOR (0.45) ESRRGALDH1A1MAPTKDM1ASRD5A2
SCHEMBL3978279 0.90 MTOR (0.45) ESRRGALDH1A1MAPTKDM1ASRD5A2
SCHEMBL12829730 0.90 MTOR (0.45) ESRRGALDH1A1MAPTKDM1ASRD5A2
SCHEMBL13720701 0.89 ESRRG (0.51) ESRRGAGTR1ALDH1A1MAPTKDM4E
SCHEMBL1482922 0.89 ESRRG (0.51) ESRRGAGTR1ALDH1A1MAPTKDM4E
SCHEMBL1482921 0.89 ESRRG (0.51) ESRRGAGTR1ALDH1A1MAPTKDM4E
SCHEMBL12755803 0.89 ESRRG (0.50) ESRRGAGTR1ALDH1A1MAPTKDM4E
SCHEMBL1483756 0.88 ESRRG (0.46) ESRRGAGTR1ALDH1A1MAPTKDM4E

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
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP 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

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 ESRRG 121/4885AGTR1 443/4885ALDH1A1 3234/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 ESRRG 131/4885AGTR1 397/4885ALDH1A1 3160/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 123/4885AGTR1 441/4885ALDH1A1 3206/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885AGTR1 443/4885ALDH1A1 3234/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ESRRG 121/4885AGTR1 443/4885ALDH1A1 3234/4885

“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.