SCHEMBL13449655

SCHEMBL13449655

CC(=O)OCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ CYP3A4 P08684 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ SCN1A P35498 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ CA2 P00918 2/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA5A P35218 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CA5B Q9Y2D0 1/20 0.39
▸ CYP51A1 Q16850 2/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SLC6A3 Q01959 3/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL25306765 0.89 ALDH1A1 (0.43) ALDH1A1CYP3A4SCN1ASCN2ASCN3A
SCHEMBL23623916 0.84 HDAC8 (0.40) ALDH1A1TP53SCN1ASCN2ASCN3A
SCHEMBL23157115 0.83 TP53 (0.42) ALDH1A1TP53SCN1ASCN2ASCN3A
SCHEMBL15083519 0.83 CA1 (0.42) TP53SCN1ASCN2ASCN3ACA2
SCHEMBL16674090 0.83 ALDH1A1 (0.53) ALDH1A1TP53SCN1ASCN2ASCN3A
SCHEMBL23623815 0.82 TP53 (0.36) ALDH1A1TP53SCN1ASCN2ASCN3A
SCHEMBL21671191 0.81 TP53 (0.38) TP53SCN1ASCN2ASCN3ACA2
SCHEMBL132773 0.80 ALDH1A1 (0.78) ALDH1A1CYP3A4CA2SLC6A3MEN1
SCHEMBL23623804 0.79 HDAC8 (0.41) ALDH1A1TP53SCN1ASCN2ASCN3A
SCHEMBL12879091 0.79 ALDH1A1 (0.60) ALDH1A1CYP3A4TP53CA2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11241507-B2 Near-infrared chemiluminescent probes for in-vivo imaging RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-02-08 — — US disclosed
US-20210207188-A1 BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF THE UNIVERSITY OF HONG KONG (HK) 2021-07-08 — — US disclosed
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2021-03-04 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-9409952-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-08-09 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — US disclosed
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-03-19 — — US disclosed
US-8518891-B2 Chemotherapeutic conjugates and methods of use HU LONGQIN (US) 2013-08-27 — — US disclosed
US-20100075927-A1 CHEMOTHERAPEUTIC CONJUGATES AND METHODS OF USE RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-03-25 — — US disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 — — US disclosed
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates FRUTAROM LTD. (IL) 2008-09-11 — — 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 (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-20100075927-A1 CHEMOTHERAPEUTIC CONJUGATES AND METHODS OF USE DNPEP, ANPEP, ENPEP ALDH1A1 2003/4885CYP3A4 2842/4885TP53 107/4885
US-20210207188-A1 BETA-LACTAM COMPOUNDS AND METHODS OF USE THEREOF MGAM, SI, PGLS ALDH1A1 1532/4885CYP3A4 318/4885TP53 4680/4885
US-20210061860-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R ALDH1A1 4857/4885CYP3A4 4383/4885TP53 2654/4885
US-11241507-B2 Near-infrared chemiluminescent probes for in-vivo imaging DHPS, DOHH, DAZAP1 ALDH1A1 486/4885CYP3A4 343/4885TP53 2764/4885
US-20080221303-A1 Method for the Preparation of Peptide-Oligonucleotide Conjugates VIP, PTMS, SSTR4 ALDH1A1 4552/4885CYP3A4 3770/4885TP53 1803/4885
US-20150080549-A1 PEPTIDE-COMPOUND CYCLIZATION METHOD VIP, NGLY1, GLP1R ALDH1A1 4857/4885CYP3A4 4383/4885TP53 2654/4885

“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.

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