SCHEMBL823906

SCHEMBL823906

C=CCOCc1cccc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
MAOB P27338 2/20 0.48
MAOA P21397 1/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 4/20 0.45
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 1/20 0.45
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
F2 P00734 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL1767329 0.85 TSHR (0.65) TSHRMAOBMAOALMNAMAPT
SCHEMBL8112886 0.84 RAB9A (0.48) TSHRMAOBMAOALMNAMAPT
SCHEMBL8625816 0.84 CYP19A1 (0.41) TSHRLMNARAB9ASMN1; SMN2TDP1
Hydrochloric Acid SCHEMBL6516491 0.84 TSHR (0.51) TSHRMAOBMAOALMNAMAPT
SCHEMBL3147589 0.83 TSHR (0.57) TSHRMAOBMAOALMNAMAPT
SCHEMBL11955400 0.81 TSHR (0.56) TSHRMAOBMAOALMNAMAPT
SCHEMBL7861196 0.81 TSHR (0.59) TSHRMAOBMAOALMNAMAPT
SCHEMBL11700680 0.80 TSHR (0.41) TSHRALOX15
SCHEMBL11503161 0.80 TSHR (0.67) TSHRMAOBMAOALMNAMAPT
SCHEMBL28381738 0.80 TSHR (0.57) TSHRMAOBMAOALMNAMAPT

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220241291-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES SOBI, INC. 2022-08-04 US disclosed
US-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 US disclosed
US-11135227-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2021-10-05 US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 US disclosed
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2020-03-05 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES CTI BIOPHARMA CORP. (US) 2017-04-27 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-9573964-B2 Oxygen linked pyrimidine derivatives CTI BIOPHARMA CORP. (US) 2017-02-21 US disclosed
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-10-15 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD. (SG) 2009-03-19 US disclosed
EP-1951729-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
EP-1951730-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*Bio Pte Ltd (SG) 2008-08-06 EP disclosed
WO-2007058627-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
WO-2007058627-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 WO disclosed
WO-2007058628-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES S*BIO PTE LTD (SG) 2007-05-24 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 (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-20220241291-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885MAOB 983/4885MAOA 1396/4885
US-20090075999-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885MAOB 983/4885MAOA 1396/4885
US-20090258886-A1 HETEROALKYL LINKED PYRIMIDINE DERIVATIVES TK1, TK2, DPYD TSHR 4623/4885MAOB 2421/4885MAOA 3116/4885
US-20170112846-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885MAOB 983/4885MAOA 1396/4885
US-11135227-B2 Oxygen linked pyrimidine derivatives DPYD, TK2, TK1 TSHR 4633/4885MAOB 983/4885MAOA 1396/4885
US-20200071339-A1 OXYGEN LINKED PYRIMIDINE DERIVATIVES DPYD, TK2, TK1 TSHR 4633/4885MAOB 983/4885MAOA 1396/4885

“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.