SCHEMBL5495499

SCHEMBL5495499

NCCc1c(C(N)=O)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.66
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
FOLH1 Q04609 1/20 0.55
MAP2 P11137 1/20 0.54
EGFR P00533 1/20 0.50
SRC P12931 1/20 0.50
MCL1 Q07820 8/20 0.49
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
HTR7 P34969 1/20 0.46
DRD3 P35462 1/20 0.46
ALB P02768 1/20 0.44
BCL2 P10415 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL28746390 0.89 MCL1 (0.57) HTR6KDM4EALDH1A1FOLH1MAP2
SCHEMBL2003146 0.87 KDM4E (0.72) HTR6KDM4EALDH1A1FOLH1MCL1
SCHEMBL5279031 0.87 MAP2 (0.57) HTR6KDM4EALDH1A1FOLH1MAP2
SCHEMBL9499798 0.82 HTR6 (0.76) HTR6KDM4EALDH1A1FOLH1EGFR
SCHEMBL6430294 0.82 ALDH1A1 (0.57) HTR6KDM4EALDH1A1FOLH1MAP2
SCHEMBL4262908 0.81 KDM4E (0.62) KDM4EALDH1A1FOLH1MAP2EGFR
SCHEMBL4292563 0.80 HTR6 (0.62) HTR6KDM4EALDH1A1MAP2HTR1A
SCHEMBL1486947 0.80 HTR6 (1.00) HTR6KDM4EALDH1A1HTR1ADRD2
SCHEMBL7745979 0.79 KDM4E (0.57) KDM4EALDH1A1FOLH1MAP2EGFR
SCHEMBL631701 0.79 MAP2 (0.53) HTR6KDM4EALDH1A1FOLH1MAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140228543-A1 MODIFIED AND DERIVATIZED ß-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS MIDCAP FINANCIAL TRUST, AS AGENT 2014-08-14 US disclosed
EP-0828750-B1 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE EC TECHNOLOGY LLC (US) 2013-07-17 EP disclosed
WO-2012154680-A2 MODIFIED AND DERIVATIZED β-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS BIOTHERA, INC. (US) 2012-11-15 WO disclosed
EP-0828750-A4 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE EC TECHNOLOGY LLC (US) 2007-11-07 EP disclosed
US-5945527-A REACTING CYTOSINE CONTAINING A LEAVING GROUP ATTACHED TO 5- OR 6-POSTION OF MOLECULE, ISOLATING MODIFIED NUCLEOSIDE; FOR NOVEL FUNGICIDES, VIRICIDES, BACTERICIDES, ANTITUMOR AGENTS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-08-31 US disclosed
EP-0828750-A1 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE NeXstar Pharmaceuticals, Inc. (US) 1998-03-18 EP disclosed
WO-1996038460-A1 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE NEXSTAR PHARMACEUTICALS, INC. (US) 1996-12-05 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 (1 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-20140228543-A1 MODIFIED AND DERIVATIZED ß-GLUCAN COMPOUNDS, COMPOSITIONS, AND METHODS MANBA, ALG1, MAN2A1 HTR6 4375/4885KDM4E 2959/4885ALDH1A1 2863/4885

“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.