SCHEMBL2395983

SCHEMBL2395983

C=CCc1cccc2c1nnn2OC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
MEN1 O00255 6/20 0.33
KMT2A Q03164 6/20 0.33
PKM P14618 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 4/20 0.32
LMNA P02545 3/20 0.32
KDM4E B2RXH2 3/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.32
SIRT2 Q8IXJ6 2/20 0.32
NPSR1 Q6W5P4 3/20 0.32
TSHR P16473 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
HIF1A Q16665 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6510223 0.91 GABRA1 (0.36) GABRA1GABRB2MEN1KMT2APKM
SCHEMBL3454178 0.76 GABRA1 (0.42) GABRA1GABRB2MEN1KMT2APKM
SCHEMBL7836733 0.76 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2APKM
SCHEMBL239516 0.67 SIRT2 (0.60) KMT2ASMN1; SMN2ALDH1A1SIRT2NPSR1
Bicarbonate SCHEMBL28476605 0.67 GABRA1 (0.39) GABRA1GABRB2MEN1KMT2AL3MBTL1
SCHEMBL26136210 0.67 GRM2 (0.36) GABRA1GABRB2MEN1KMT2APKM
SCHEMBL27909384 0.66 HDAC3 (0.32) SIRT2NPSR1TSHRRXFP1HDAC3
SCHEMBL3205167 0.66 PLA2G2A (0.32) MEN1KMT2AMAPTKDM4E
SCHEMBL3658175 0.63 CNR2 (0.40) GABRA1GABRB2MAPTLMNAKDM4E
SCHEMBL28134450 0.62 GABRA1 (0.43) GABRA1GABRB2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104231008-B The Regioselective synthesis of nucleoside medicine 5 ' bit amino acid esters 沈阳药科大学 2017-03-01 CN disclosed
CN-104231008-A Regional selective synthesis method of nucleoside drug 5'-site amino-acid ester UNIV SHENYANG PHARMACEUTICAL 2014-12-24 CN disclosed
US-8012430-B2 Methods for producing microchannel chips, microchannel chips, methods for separating biomolecules using the microchannel chips, and electrophoretic apparatus having the microchannel chips NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2011-09-06 US disclosed
US-20100101953-A1 Methods for producing microchannel chips, microchannel chips, methods for separating biomolecules using the microchannel chips, and electrophoretic apparatus having the microchannel chips NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2010-04-29 US disclosed
US-20060113189-A1 Method for separating substances KARUBE, ISAO (JP) 2006-06-01 US disclosed
EP-1548429-A1 METHOD FOR SEPARATING SUBSTANCES Katayanagi Institute (JP) 2005-06-29 EP disclosed
US-20050074771-A1 Carbamate-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. 2005-04-07 US disclosed
US-6803198-B2 COMPOUND FOR USE IN HUMAN THERAPEUTICS AND DIAGNOSTICS ISIS PHARMACEUTICALS, INC. 2004-10-12 US disclosed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
US-20030039977-A1 Carbamate-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. 2003-02-27 US disclosed
US-6322987-B1 FOR TREATING AN ANIMAL HAVING A DISEASE CHARACTERIZED BY UNDESIRED PRODUCTION OF PROTEIN ISIS PHARMACEUTICALS, INC. 2001-11-27 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
EP-0983291-A4 CARBAMATE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS INC (US) 2001-04-04 EP disclosed
US-6166188-A Carbamate-derivatized nucleosides and oligonucleosides ISIS PHARMACEUTICALS, INC. (US) 2000-12-26 US disclosed
US-6111085-A COMPOUND HAVING AT LEAST ONE NUCLEOSIDE WITH A DERIVATIVE AT THE 2'-O OR 3'-O POSITION; FOR IMPROVED PROPERTIES AND CONJUGATION OF FUNCTIONAL MOIETIES SUCH AS STEROIDS, REPORTER MOLECULES, REPORTER ENZYMES, LIPOPHILIC MOLECULES ISIS PHARMACEUTICALS, INC. (US) 2000-08-29 US disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO disclosed
EP-0983291-A1 CARBAMATE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 2000-03-08 EP disclosed
WO-1998011123-A1 CARBAMATE-DERIVATIZED NUCLEOSIDES AND OLIGONUCLEOSIDES ISIS PHARMACEUTICALS, INC. (US) 1998-03-19 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-20050074771-A1 Carbamate-derivatized nucleosides and oligonucleosides RNGTT, NUDT21, DUT GABRA1 4031/4885GABRB2 3669/4885MEN1 2452/4885
US-20030039977-A1 Carbamate-derivatized nucleosides and oligonucleosides RNGTT, NUDT21, DUT GABRA1 4031/4885GABRB2 3669/4885MEN1 2452/4885
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 GABRA1 1579/4885GABRB2 2319/4885MEN1 826/4885

“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.