SCHEMBL280227

SCHEMBL280227

O=C(c1ccccc1)c1noc(-c2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
DUSP3 P51452 4/20 0.43
CATSPER1 Q8NEC5 1/20 0.42
HTT P42858 1/20 0.40
IP6K1 Q92551 2/20 0.40
IP6K3 Q96PC2 2/20 0.40
IP6K2 Q9UHH9 2/20 0.40
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL13316479 0.84 PTPN1 (0.49) PTPN1POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL10994126 0.81 RAB9A (0.55) POLBALDH1A1RAB9AMAPTKMT2A
SCHEMBL11794140 0.80 SRD5A2 (0.40) MAPK1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL1753233 0.78 TARBP2 (0.46) PTPN1POLBMAPK1ALDH1A1RAB9A
SCHEMBL280055 0.77 PTPN1 (0.54) PTPN1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL279943 0.76 PTPN1 (0.53) PTPN1POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL328123 0.74 PTPN1 (0.54) PTPN1POLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL11523311 0.72 GPX4 (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL11521735 0.72 GPX4 (0.42) ALDH1A1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL12087977 0.71 KMT2A (0.39) PTPN1ALDH1A1RAB9ASMN1; SMN2MAPT

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 13 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-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 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-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LTD. (JP) 2009-11-12 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-05-21 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-4061651-A Preparation of 3,5-disubstituted-4-nitroisoxazoles TEXACO INC. (US) 1977-12-06 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 (6 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 PTPN1 1416/4885POLB 4329/4885MAPK1 950/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 PTPN1 1463/4885POLB 4323/4885MAPK1 995/4885
US-20090131659-A1 AMIDE COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR TEK, PTAFR, MPL PTPN1 1638/4885POLB 4352/4885MAPK1 474/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 PTPN1 1416/4885POLB 4329/4885MAPK1 950/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 PTPN1 1416/4885POLB 4329/4885MAPK1 950/4885
US-20090281317-A1 3-ETHYLIDENEHYDRAZINO SUBSTITUTED HETEROCYCLIC COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO PTPN1 1493/4885POLB 3683/4885MAPK1 512/4885

“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.