SCHEMBL7645

SCHEMBL7645

O=C(O)c1nc2ccccc2n1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 3/20 0.46
POLB P06746 1/20 0.46
DAO P14920 1/20 0.46
MAPT P10636 3/20 0.45
RAB9A P51151 5/20 0.45
LMNA P02545 4/20 0.45
NPC1 O15118 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPK10 P53779 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
APAF1 O14727 1/20 0.43
HSD17B10 Q99714 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL23855754 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL21332745 0.79 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL28012189 0.79 KDM4E (0.49) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL760729 0.79 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL6961424 0.79 NOS2 (0.53) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL13943 0.79 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL2334505 0.78 RECQL (0.59) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL843331 0.77 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL11161989 0.75 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB
SCHEMBL3619365 0.75 MAPK1 (0.61) SMN1; SMN2ALDH1A1KDM4ERECQLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0983334-A1 ENZYMATIC BLEACHING SYSTEM CONTAINING NEW COMPOUNDS FOR INTENSIFYING ENZYMATIC ACTION Call, Krimhild (DE) 2000-03-08 EP claimed
WO-1999001607-A2 ENZYMATIC OXIDATION SYSTEM WITH NOVEL ENZYMATIC-EFFECT ENHANCING COMPOUNDS CALL, KRIMHILD (DE) 1999-01-14 WO claimed
WO-1998051772-A1 ENZYMATIC BLEACHING SYSTEM CONTAINING NEW COMPOUNDS FOR INTENSIFYING ENZYMATIC ACTION CALL, KRIMHILD (DE) 1998-11-19 WO claimed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
US-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITÀ DI PISA (IT) 2012-12-06 US disclosed
EP-2499114-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS Universita Di Pisa (IT) 2012-09-19 EP disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO disclosed
WO-2011054525-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS UNIVERSITA' DI PISA (IT) 2011-05-12 WO disclosed
US-7700196-B2 Method for producing carbonyl group-containing organosilicon compounds WACKER CHEMIE AG (DE) 2010-04-20 US disclosed
EP-1685183-B1 METHOD FOR PRODUCING CARBONYL REST-CONTAINING ORGANOSILICON COMPOUNDS WACKER CHEMIE AG (DE) 2008-01-16 EP disclosed
EP-0905306-A1 Multicomponent system for modifying, decomposing or bleaching lignin or lignin-containing materials and method of using this system Consortium für elektrochemische Industrie GmbH (DE) 1999-03-31 EP disclosed
EP-0885868-A1 Oxidation-process for the production of aldehydes and ketones in the presence of nitrogen-containing compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-23 EP disclosed
EP-0882814-A1 System and process for the electrochemical cleavage of compounds Consortium für elektrochemische Industrie GmbH (DE) 1998-12-09 EP disclosed
EP-0745154-B1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1998-09-16 EP disclosed
EP-0845026-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL, Hans-Peter Dr. (DE) 1998-06-03 EP disclosed
WO-1997048786-A1 MULTICOMPONENT SYSTEM FOR USE WITH DETERGENT SUBSTANCES CALL HANS PETER (DE) 1997-12-24 WO disclosed
EP-0745154-A1 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM Lignozym GmbH (DE) 1996-12-04 EP disclosed
WO-1996018770-A2 MULTICOMPONENT SYSTEM FOR MODIFYING, DECOMPOSING OR BLEACHING LIGNIN, LIGNIN-CONTAINING MATERIALS OR SIMILAR SUBSTANCES AND METHOD OF USING THIS SYSTEM LIGNOZYM GMBH (DE) 1996-06-20 WO disclosed
EP-0717143-A1 Multicomponents system for modifying decomposing or bleaching of lignin or materials containing it or similar components and the way to use it Lignozym GmbH (DE) 1996-06-19 EP 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-20120309794-A1 COMPOUNDS INHIBITORS OF ENZYME LACTATE DEHYDROGENASE (LDH) AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS LDHA, LDHB, DLD SMN1; SMN2 4231/4885ALDH1A1 84/4885KDM4E 1327/4885

“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.