SCHEMBL2028608

SCHEMBL2028608

CSc1cc[c]c([N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
FBP1 P09467 1/20 0.36
CDK2 P24941 1/20 0.35
HSP90AA1 P07900 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
NPC1 O15118 1/20 0.30
NR2F2 P24468 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MCL1 Q07820 1/20 0.30

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
SCHEMBL4837606 0.79 HSP90AA1 (0.30) HSP90AA1
SCHEMBL29145566 0.78
SCHEMBL10332553 0.77 CA2 (0.35) ALDH1A1MAPT
SCHEMBL441113 0.75 TSHR (0.45) ALDH1A1MAPTFBP1MAPK1
SCHEMBL9320496 0.74 CYSLTR2 (0.38) MAPTSMN1; SMN2
SCHEMBL26325 0.72 TSHR (0.48) ALDH1A1HSP90AA1MAPK1SMN1; SMN2
SCHEMBL10518198 0.72 FBP1 (0.41) MEN1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL3044183 0.71 ALDH1A1 (0.44) MEN1ALDH1A1MAPTKMT2AFBP1
SCHEMBL2131010 0.71 S100A4 (0.34) MEN1ALDH1A1KMT2ATRPV1
SCHEMBL590426 0.71 TDP1 (0.44) MEN1ALDH1A1MAPTKMT2AFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP claimed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US claimed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 EP claimed
EP-3339286-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
EP-2427426-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-07 EP disclosed
US-9273149-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids VERI-Q, INC. (US) 2016-03-01 US disclosed
US-20140193855-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI-Q, INC. (US) 2014-07-10 US disclosed
US-8697355-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids NORTH CAROLINA STATE UNIVERSITY (US) 2014-04-15 US disclosed
WO-2013092942-A1 USE OF AMINOBENZAMIDE DERIVATIVES FOR CONTROLLING ANIMAL PARASITES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-20130071951-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS AGRIS PAUL F (US) 2013-03-21 US disclosed
US-8323910-B2 Methods and compositions for determining the purity of chemically synthesized nucleic acids NORTH CAROLINA STATE UNIVERSITY (US) 2012-12-04 US disclosed
US-20030044831-A1 Antibody for use in the generation and protection of preferential nucleotide sequences AGRIS PAUL F (US) 2003-03-06 US disclosed
WO-2003003014-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF AND PURIFYING CHEMICALLY SYNTHESIZED NUCLEIC ACIDS VERI-Q, INC. (US) 2003-01-09 WO disclosed
EP-1242459-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS NORTH CAROLINA STATE UNIVERSITY (US) 2002-09-25 EP disclosed
US-20020045167-A1 Used for detecting incomplete deprotection of a synthetic oligonucleotide by immunoassay VERI-Q, INC. 2002-04-18 US disclosed
WO-2001049745-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS NORTH CAROLINA STATE UNIVERSITY (US) 2001-07-12 WO disclosed
EP-0482771-B1 Heterocyclic acids ZENECA LTD (GB) 1997-06-18 EP disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed
US-5219874-A Heterocyclic acids IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-15 US disclosed
EP-0482771-A2 Heterocyclic acids ZENECA LIMITED (GB) 1992-04-29 EP 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 (2 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-20140193855-A1 METHODS AND COMPOSITIONS FOR DETERMINING THE PURITY OF CHEMICALLY SYNTHESIZED NUCLEIC ACIDS RNGTT, NOP2, DCLRE1B MEN1 3464/4885ALDH1A1 4333/4885MAPT 1505/4885
US-20030044831-A1 Antibody for use in the generation and protection of preferential nucleotide sequences CD2BP2, IGSF11, RNGTT MEN1 4224/4885ALDH1A1 4659/4885MAPT 2348/4885

“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.