SCHEMBL1561845

SCHEMBL1561845

CC(=O)On1nnc2ccccc2c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.53
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
HSD17B10 Q99714 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TSHR P16473 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HPGD P15428 4/20 0.45
LMNA P02545 4/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL6234424 0.87 HPSE (0.52) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10098857 0.85 ALDH1A1 (0.51) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1562841 0.85 HPSE (0.60) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL18493192 0.84 HPSE (0.50) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5651138 0.84 HPSE (0.50) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1562499 0.84 ALDH1A1 (0.54) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL25734944 0.84 HPSE (0.50) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3072842 0.81 HPSE (0.56) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5531874 0.81 ALDH1A1 (0.53) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL12678273 0.81 HPSE (0.47) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022061168-A1 E-SELECTIN TARGETING AGENTS GLYCOMIMETICS, INC. (US) 2022-03-24 WO disclosed
WO-2021222777-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS MAGNANI JOHN L (US) 2021-11-04 WO disclosed
WO-2021222767-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2021-11-04 WO disclosed
US-8575391-B2 5-substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2013-11-05 US disclosed
EP-1780197-B9 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-04-06 EP disclosed
EP-1780197-B1 5-SUBSTITUTED-2-PHENYLAMINO BENZAMIDES AS MEK INHIBITORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2010-10-20 EP disclosed
US-7772286-B2 Polyvinyl alcohol copolymers comprising biomolecules EYESENSE AG (CH) 2010-08-10 US disclosed
US-7772286-B2 Polyvinyl alcohol copolymers comprising biomolecules EYESENSE AG (CH) 2010-08-10 US disclosed
US-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-7745663-B2 5-Substituted-2-phenylamino benzamides as MEK inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-06-29 US disclosed
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-09-17 US disclosed
US-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF THERAPHARM GMBH 2009-06-25 US disclosed
US-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF THERAPHARM GMBH 2009-06-25 US disclosed
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers NOVO NORDISK A/S (DK) 2009-02-05 US disclosed
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers NOVO NORDISK A/S (DK) 2009-02-05 US disclosed
US-7479530-B2 Polymer having charged units COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-01-20 US disclosed
US-7479530-B2 Polymer having charged units COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2009-01-20 US disclosed
EP-1780197-A1 5-SUBSTITUTED-2-PHENYLAMINO-BENZAMIDE AS MEK INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2007-05-02 EP disclosed
WO-2007028639-A1 METHOD FOR THE SYNTHESIS OF PENTAPENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIO-CONJUGATES PREPARATION BY A COVALENT BINDING OF THEREOF THERAPHARM GMBH (CH) 2007-03-15 WO disclosed
US-6828392-B2 For use as solid supports for organic synthesis, for enzymatic assays, for immobilization of biomolecules, for controlled release of drugs, and for chromatographic separations CARLSBERG A/S (DK) 2004-12-07 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 (4 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-20090162290-A1 METHOD FOR THE SYNTHESIS OF PENTA-PENDANT ENANTIOMER-PURE CHELATORS AND PROCESS FOR THERAPEUTICALLY ACTIVE BIOCONJUGATES PREPARATION BY A COVALENT BINDING THEREOF C5, C3AR1, SPR HPSE 1587/4885ALDH1A1 733/4885SMN1; SMN2 3717/4885
US-20100197676-A1 5-Substituted-2-Phenylamino Benzamides as Mek Inhibitors BRAF, RAF1, NRAS HPSE 4173/4885ALDH1A1 680/4885SMN1; SMN2 2741/4885
US-20090233915-A1 5-Substituted-2-Phenylamino Benzamides as MEK Inhibitors BRAF, RAF1, NRAS HPSE 4173/4885ALDH1A1 680/4885SMN1; SMN2 2741/4885
US-20090036353-A1 Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers INSR, IAPP, IGF1R HPSE 544/4885ALDH1A1 4305/4885SMN1; SMN2 1930/4885

“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.