SCHEMBL2178791

SCHEMBL2178791

O=[N+]([O-])c1cnc(O)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
GPR35 Q9HC97 6/20 0.50
MAPK1 P28482 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
RECQL P46063 1/20 0.50
PMP22 Q01453 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL30557784 1.00 ALDH1A1 (0.50) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL30350882 0.98 TDP1 (0.49) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL29001447 0.98 TDP1 (0.49) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL2405141 0.82 ALDH1A1 (0.47) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL17477185 0.82 HSPB1 (0.44) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL27579425 0.82 ALDH1A1 (0.47) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL14659678 0.80 ALDH1A1 (0.44) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL8078061 0.79 ALDH1A1 (0.53) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL9942575 0.78 HSP90AA1 (0.39) ALDH1A1GPR35MAPK1TDP1HPGD
SCHEMBL3146522 0.78 GPR35 (0.44) ALDH1A1GPR35MAPK1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2017-08-03 US claimed
EP-3174888-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE Lupin Limited (IN) 2017-06-07 EP claimed
WO-2016016865-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2016-02-04 WO claimed
US-9123660-B2 Chemical mechanical polishing slurry compositions and polishing method using the same CHEIL INDUSTRIES INC. (KR) 2015-09-01 US claimed
US-20120282775-A1 Chemical Mechanical Polishing Slurry Compositions and Polishing Method Using the Same CHEIL INDUSTRIES INC. (KR) 2012-11-08 US claimed
CN-102666771-A Cmp slurry compositions and polishing method using the same CHEIL IND INC 2012-09-12 CN claimed
WO-2011081503-A2 CHEMICAL MECHANICAL POLISHING SLURRY COMPOSITIONS AND POLISHING METHOD USING THE SAME CHEIL INDUSTRIES INC. (KR) 2011-07-07 WO claimed
JP-6220019-A None JP disclosed
US-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS GOSSAMER BIO SERVICES INC (US) 2021-05-13 US disclosed
WO-2019200120-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS LYCERA CORPORATION (US) 2019-10-17 WO disclosed
US-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2017-08-03 US disclosed
EP-3174888-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE Lupin Limited (IN) 2017-06-07 EP disclosed
WO-2016016865-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE LUPIN LIMITED (IN) 2016-02-04 WO disclosed
US-20050107422-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME LLC 2005-05-19 US disclosed
US-20050101628-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME LLC 2005-05-12 US disclosed
EP-1501507-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-02-02 EP disclosed
US-6812234-B2 CCR-2; INFLAMMATORY, IMMUNOREGULATORY, ALLERGIC, AND AUTOIMMUNE DISORDERS AND DISEASES MERCK & CO., INC. 2004-11-02 US disclosed
US-20040167156-A1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK SHARP & DOHME LLC 2004-08-26 US disclosed
WO-2003092586-A2 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2003-11-13 WO disclosed
JP-H06220019-A PRODUCTION OF 2-HYDROXY-3,5-DINITROPYRIDINE COMPOUNDS KOEI CHEM CO LTD 1994-08-09 JP 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-20210139484-A1 DIHYDROISOQUINOLINE-2(1H)-CARBOXAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS ULK1, PHKG2, PHKG1 ALDH1A1 2060/4885GPR35 1752/4885MAPK1 896/4885
US-20050107422-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity CCR1, CCR9, CCR2 ALDH1A1 2141/4885GPR35 96/4885MAPK1 1078/4885
US-20050101628-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity CCR2, CCR9, CCR1 ALDH1A1 2240/4885GPR35 83/4885MAPK1 765/4885
US-20040167156-A1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR1, CCRL2, CCR5 ALDH1A1 1905/4885GPR35 92/4885MAPK1 578/4885
US-20170218007-A1 A PROCESS FOR THE PREPARATION OF NUCLEOSIDE PHOSPHORAMIDATE SAMHD1, PNP, MTAP ALDH1A1 2758/4885GPR35 4597/4885MAPK1 3345/4885

“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.