Sugi Predict

Sugi Predict / Compounds / SCHEMBL2096918

SCHEMBL2096918

SCHEMBL2096918

COc1[c]cc([N+](=O)[O-])[c]c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ PKM P14618 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ TPMT P51580 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ PRKDC P78527 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL5581181 0.80 MEN1 (0.35) ALDH1A1TDP1LMNATSHRHSD17B10
SCHEMBL192974 0.71 HTT (0.44) SMN1; SMN2ALDH1A1TDP1PKMLMNA
SCHEMBL2681882 0.71 FBP1 (0.41) SMN1; SMN2ALDH1A1PKMLMNAHTT
SCHEMBL123690 0.71 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1TDP1PKMLMNA
SCHEMBL1356676 0.69 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1LMNAHTT
SCHEMBL3196901 0.69 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TDP1LMNAHTT
SCHEMBL8074332 0.68 ALDH1A1 (0.33) ALDH1A1
SCHEMBL28383967 0.68 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1HTTTPMT
SCHEMBL6233733 0.68 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TDP1HTTTPMT
SCHEMBL8082519 0.68 MAPT (0.34) ALDH1A1TDP1HTTTSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240158833-A1 Compositions and Methods for Labeling Modified Nucleotides in Nucleic Acids NEW ENGLAND BIOLABS, INC. (US) 2024-05-16 — — US disclosed
EP-4294936-A1 COMPOSITIONS AND METHODS FOR LABELING MODIFIED NUCLEOTIDES IN NUCLEIC ACIDS New England Biolabs, Inc. (US) 2023-12-27 — — EP disclosed
CN-116999573-A Antibody-drug conjugate, preparation method thereof, pharmaceutical composition and application thereof in preparation of drugs for treating tumors 第一三共株式会社 2023-11-07 — — CN disclosed
CN-117003875-A Antibody or functional fragment thereof, polynucleotide, expression vector, host cell, sugar chain reconstruction antibody, pharmaceutical composition and application 第一三共株式会社 2023-11-07 — — CN disclosed
CN-116999572-A Antibody-drug conjugate, pharmaceutical composition and application thereof in preparation of drugs for treating tumors 第一三共株式会社 2023-11-07 — — CN disclosed
CN-111164208-B Antibody-pyrrolobenzodiazepine derivative conjugates 第一三共株式会社 2023-08-04 — — CN disclosed
US-20230022745-A1 Methods for Labeling a Population of RNA Molecules NEW ENGLAND BIOLABS, INC. (US) 2023-01-26 — — US disclosed
WO-2020196475-A1 ANTI-HER2 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE 第一三共株式会社 2020-10-01 — — WO disclosed
WO-2020196474-A1 ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE 第一三共株式会社 2020-10-01 — — WO disclosed
WO-2020196712-A1 COMBINATION OF ANTIBODY-PYRROLOBENZODIAZEPINE DERIVATIVE CONJUGATE AND PARP INHIBITOR 第一三共株式会社 2020-10-01 — — WO disclosed
EP-1874738-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE Covalys Biosciences AG (CH) 2008-01-09 — — EP disclosed
WO-2006114409-A9 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2007-10-18 — — WO disclosed
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-10-18 — — US disclosed
EP-1730298-A1 SPECIFIC SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2006-12-13 — — EP disclosed
WO-2006114409-A1 PYRIMIDINES REACTING WITH O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE COVALYS BIOSCIENCES AG (CH) 2006-11-02 — — WO disclosed
WO-2005085470-A9 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE LAUSANNE (CH) 2006-10-05 — — WO disclosed
US-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL). (CH) 2006-02-02 — — US disclosed
WO-2005085470-A1 SPECIFIC SUBSTRATES FOR O6- ALKYLGUANINE-DNA ALKYLTRANSFERASE EPFL ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2005-09-15 — — WO disclosed
EP-1546371-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2005-06-29 — — EP disclosed
WO-2004031405-A1 SUBSTRATES FOR O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2004-04-15 — — 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 (3 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-20060024775-A1 Substrates for o6-alkylguanina-dna alkyltransferase AGT, OGG1, NUDT1 SMN1; SMN2 4215/4885ALDH1A1 1497/4885TDP1 530/4885
US-20070243568-A1 Specific Substrates for O6-Alkylguanine-Dna Alkyltransferase AGT, AGXT, AGTR1 SMN1; SMN2 4367/4885ALDH1A1 893/4885TDP1 814/4885
US-20230022745-A1 Methods for Labeling a Population of RNA Molecules RNGTT, RNMT, MTAP SMN1; SMN2 2890/4885ALDH1A1 2357/4885TDP1 455/4885

“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.