SCHEMBL299909

SCHEMBL299909

COCC(C)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
TDP1 Q9NUW8 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
RECQL P46063 2/20 0.46
CYP1A2 P05177 3/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
ABCC4 O15439 1/20 0.40
CACNA1F O60840 1/20 0.40
NR1I2 O75469 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
SCHEMBL994480 0.85 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL299908 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL12932112 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL4303842 0.83 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL21240 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL291947 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL12932150 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL21239 0.83 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL4067427 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A
SCHEMBL291949 0.81 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TDP1NPC1RAB9A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020247927-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-12-10 WO claimed
EP-2427573-A2 METHOD OF OLIGONUCLEOTIDE LABELING USING CYCLOADDITION REACTION Chemgenes Corporation (US) 2012-03-14 EP claimed
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END THE UNIVERSITY OF TOKYO (JP) 2011-01-13 US claimed
EP-2270142-A1 METHOD OF PREPARING DNA FRAGMENT HAVING STICKY END The University of Tokyo (JP) 2011-01-05 EP claimed
WO-2010129656-A2 METHOD OF OLIGONUCLEOTIDE LABELING USING CYCLOADDITION REACTION CHEMGENES CORPORATION (US) 2010-11-11 WO claimed
US-20220251639-A1 OLIGONUCLEOTIDE, OMICS ANALYSIS METHOD, AND OMICS ANALYSIS KIT KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2022-08-11 US disclosed
US-20220162687-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE 2022-05-26 US disclosed
EP-3974528-A1 OLIGONUCLEOTIDE, OMICS ANALYSIS METHOD, AND OMICS ANALYSIS KIT Kyushu University, National University Corporation (JP) 2022-03-30 EP disclosed
WO-2020247927-A1 NOVEL SYSTEMS, METHODS AND COMPOSITIONS FOR THE DIRECT SYNTHESIS OF STICKY ENDED POLYNUCLEOTIDES THE REGENTS OF THE UNIVERSITY OF COLORADO A BODY CORPORATE (US) 2020-12-10 WO disclosed
WO-2020041380-A1 METHODS AND COMPOSITIONS FOR OPTOCHEMICAL CONTROL OF CRISPR-CAS9 THE BROAD INSTITUTE, INC. (US) 2020-02-27 WO disclosed
US-8076501-B2 Photogenerated reagents LC SCIENCES LC 2011-12-13 US disclosed
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END THE UNIVERSITY OF TOKYO (JP) 2011-01-13 US disclosed
EP-2270142-A1 METHOD OF PREPARING DNA FRAGMENT HAVING STICKY END The University of Tokyo (JP) 2011-01-05 EP disclosed
US-20100137600-A1 Photogenerated reagents LC SCIENCES LC 2010-06-03 US disclosed
US-7235670-B2 Photogenerated reagents Gao, Xiaolian 2007-06-26 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 (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-20100137600-A1 Photogenerated reagents PPOX, PGR, GRHPR ALDH1A1 1813/4885SMN1; SMN2 4876/4885TDP1 2661/4885
US-20110009607-A1 METHOD FOR PREPARING DNA FRAGMENT HAVING STICKY END POLB, POLL, POLN ALDH1A1 2795/4885SMN1; SMN2 4115/4885TDP1 128/4885

“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.