SCHEMBL2021877

SCHEMBL2021877

Cc1cccc2c1C(=O)N(Cc1ccccc1)C2=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.59
CASP3 P42574 1/20 0.58
MAPT P10636 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPK1 P28482 2/20 0.57
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 4/20 0.53
MEN1 O00255 3/20 0.53
HPGD P15428 3/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RECQL P46063 2/20 0.51
CYP1B1 Q16678 1/20 0.51
RGS12 O14924 1/20 0.51
USP2 O75604 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
CA12 O43570 2/20 0.49

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
SCHEMBL31666944 0.86 KDM4E (0.50) NPSR1CASP3MAPTKDM4EMAPK1
SCHEMBL18688197 0.85 MAPT (0.76) NPSR1CASP3MAPTKDM4EMAPK1
SCHEMBL31667598 0.84 KDM4E (0.67) CASP3MAPTKDM4EMAPK1KMT2A
SCHEMBL16369912 0.83 KDM4E (0.50) NPSR1CASP3MAPTKDM4EMAPK1
SCHEMBL28346661 0.82 NPSR1 (0.61) NPSR1CASP3MAPTKDM4EMAPK1
SCHEMBL30378360 0.82 NPSR1 (0.61) NPSR1CASP3MAPTKDM4EMAPK1
SCHEMBL19052111 0.81 KMT2A (0.62) NPSR1CASP3MAPTKDM4EMAPK1
SCHEMBL30472950 0.80 CASP3 (0.85) NPSR1CASP3MAPTKDM4EKMT2A
SCHEMBL326305 0.80 CASP3 (0.85) NPSR1CASP3MAPTKDM4EKMT2A
SCHEMBL12235632 0.80 CYP1B1 (0.58) NPSR1MAPTKDM4EMAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2023-06-01 US disclosed
US-20180021273-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-01-25 US disclosed
US-20170182054-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2017-06-29 US disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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 (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-20170182054-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND USES THEREOF EP300, KAT2A, HTT NPSR1 3854/4885CASP3 2495/4885MAPT 13/4885
US-20180021273-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 NPSR1 4117/4885CASP3 1985/4885MAPT 14/4885
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 NPSR1 56/4885CASP3 4544/4885MAPT 3081/4885
US-20230165813-A1 HISTONE ACETYLTRANSFERASE ACTIVATORS AND COMPOSITIONS AND USES THEREOF HDAC6, HDAC9, HDAC5 NPSR1 4117/4885CASP3 1985/4885MAPT 14/4885

“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.