Sugi Predict

Sugi Predict / Compounds / SCHEMBL1727258

SCHEMBL1727258

SCHEMBL1727258

COC(=O)c1cc([N+](=O)[O-])c(NC(C)=O)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HPGD P15428 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ GALR2 O43603 1/20 0.53
▸ MITF O75030 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ XBP1 P17861 1/20 0.53
▸ CCR6 P51684 1/20 0.53
▸ KMT2A Q03164 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ HTT P42858 2/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ FLT1 P17948 1/20 0.44
▸ FGFR3 P22607 1/20 0.44
▸ KDR P35968 1/20 0.44

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
SCHEMBL12215941 0.94 LMNA (0.50) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL11951437 0.90 ALDH1A1 (0.51) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL9835516 0.89 ALDH1A1 (0.50) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL27687932 0.89 NPSR1 (0.50) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL9835504 0.89 ALDH1A1 (0.50) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL1725104 0.89 ALDH1A1 (0.71) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL28496695 0.89 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL8954112 0.88 SMN1; SMN2 (0.58) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL9867338 0.88 ALDH1A1 (0.49) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2
SCHEMBL25828449 0.87 ALDH1A1 (0.49) ALDH1A1NPSR1LMNAHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0190524-B1 Industrial synthesis of N-[(1'-allyl-2'-pyrrolidinyl)methyl]-2-methoxy-4,5-azimido benzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1991-03-06 — — EP claimed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 — — US claimed
WO-2020036812-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 — — WO disclosed
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF Kineta Immuno-Oncology LLC 2020-02-20 — — US disclosed
WO-2020036574-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I' PATHWAY AND METHODS OF USE THEREOF Kineta, Inc. (US) 2020-02-20 — — WO disclosed
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
US-9040565-B2 1H-benzimidazole-5-carboxamides as anti-inflammatory agents OREXO AB (SE) 2015-05-26 — — US disclosed
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 — — EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 — — US disclosed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 — — US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 — — US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 — — US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 — — EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 — — US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 — — WO disclosed
US-4804765-A Process for synthesizing N-[(1'-allyl-2'pyrrolidinyl) methyl]2-methoxy-4,5-azimidobenzamide SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-D-FRANCE (FR) 1989-02-14 — — US disclosed
US-4039672-A EMESIS SOCIETE D'ETUDES SCIENTIFIQUES ET INDUSTRIELLES DE L'ILE-DE-FRANCE (FR) 1977-08-02 — — 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 (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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ALDH1A1 717/4885NPSR1 104/4885LMNA 880/4885
US-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALDH1A1 2391/4885NPSR1 3952/4885LMNA 2735/4885
US-20200055871-A1 ACTIVATORS OF THE RETINOIC ACID INDUCIBLE GENE \"RIG-I\" PATHWAY AND METHODS OF USE THEREOF RARB, RARG, RARA ALDH1A1 72/4885NPSR1 3869/4885LMNA 3514/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885NPSR1 4065/4885LMNA 2659/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B ALDH1A1 573/4885NPSR1 176/4885LMNA 1223/4885

“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.