SCHEMBL10240415

SCHEMBL10240415

Cc1ccc(Cl)c2nonc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 4/20 0.39
GAA P10253 2/20 0.39
APAF1 O14727 2/20 0.39
THRB P10828 2/20 0.39
RECQL P46063 2/20 0.39
BLM P54132 2/20 0.39
SAE1 Q9UBE0 2/20 0.39
UBA2 Q9UBT2 2/20 0.39
TDP2 O95551 1/20 0.39
NSD2 O96028 1/20 0.39
GALK1 P51570 1/20 0.39
CASP6 P55212 1/20 0.39
KMT2A Q03164 6/20 0.34
MEN1 O00255 5/20 0.34
MAPK1 P28482 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 3/20 0.34

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
SCHEMBL679008 0.85 MEN1 (0.41) TNFMAPTL3MBTL1GAATHRB
SCHEMBL19269465 0.85 MAPT (0.42) TNFMAPTL3MBTL1GAAAPAF1
SCHEMBL12949530 0.74 MEN1 (0.35) MAPTL3MBTL1KMT2AMEN1MAPK1
SCHEMBL10305605 0.74 MAPT (0.36) MAPTL3MBTL1GAAAPAF1THRB
SCHEMBL16029823 0.74 MAPT (0.36) MAPTL3MBTL1GAAAPAF1THRB
SCHEMBL14108026 0.73 MAPT (0.46) MAPTL3MBTL1GAATHRBRECQL
SCHEMBL3189454 0.73 MAPT (0.46) MAPTL3MBTL1GAAAPAF1THRB
SCHEMBL10168531 0.72 MAPT (0.36) MAPTL3MBTL1GAAAPAF1THRB
SCHEMBL1104682 0.72 RORA (0.36) MAPTL3MBTL1GAAAPAF1THRB
SCHEMBL10240567 0.72 GAA (0.40) TNFMAPTL3MBTL1GAAAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3406251-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2023-11-29 EP disclosed
EP-3708169-A1 2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2020-09-16 EP disclosed
EP-2704721-B1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS INC (US) 2018-04-11 EP disclosed
EP-3241554-A1 QUINOLINE-8-SULFONAMIDE DERIVATES HAVING AN ANTICANCER ACTIVITY Agios Pharmaceuticals, Inc. (US) 2017-11-08 EP disclosed
US-20170290825-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2017-10-12 US disclosed
US-20170183311-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS AGIOS PHARMACEUTICALS, INC. 2017-06-29 US disclosed
US-9682080-B2 Pyruvate kinase activators for use in therapy AGIOS PHARMACEUTICALS, INC (US) 2017-06-20 US disclosed
EP-2448582-B1 QUINOLINE-8-SULFONAMIDE DERIVATIVES HAVING AN ANTICANCER ACTIVITY AGIOS PHARMACEUTICALS INC (US) 2017-04-19 EP disclosed
US-20160152567-A1 NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SY STEM (US) 2016-06-02 US disclosed
US-20160106742-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC. 2016-04-21 US disclosed
US-8785450-B2 Therapeutic compounds and compositions AGIOS PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
US-20140194402-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY AGIOS PHARMACEUTICALS, INC (US) 2014-07-10 US disclosed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 EP disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 US disclosed
US-7358235-B2 Analogs of nitrobenzylthioinosine GRUENENTHAL GMBH (DE) 2008-04-15 US disclosed
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 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 (8 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-20160106742-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 TNF 4782/4885MAPT 3114/4885L3MBTL1 1223/4885
US-20170183311-A1 THERAPEUTIC COMPOUNDS AND COMPOSITIONS PDK1, PDK2, PDK3 TNF 4736/4885MAPT 2867/4885L3MBTL1 1664/4885
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE TNF 3230/4885MAPT 1416/4885L3MBTL1 4471/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 TNF 1069/4885MAPT 3212/4885L3MBTL1 4806/4885
US-20160152567-A1 NOVEL ALLOSTERIC INHIBITORS OF PROTEASOME AND METHODS OF USE THEREOF PSME3, PSMB1, PSMB2 TNF 4427/4885MAPT 2575/4885L3MBTL1 2621/4885
US-20140194402-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 TNF 4782/4885MAPT 3114/4885L3MBTL1 1223/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A TNF 1793/4885MAPT 1966/4885L3MBTL1 4664/4885
US-20170290825-A1 PYRUVATE KINASE ACTIVATORS FOR USE IN THERAPY PCK1, PDK3, PDK2 TNF 4782/4885MAPT 3114/4885L3MBTL1 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.