SCHEMBL10062331

SCHEMBL10062331

O=C(NNC(=O)c1c2ccccc2nc2ccccc12)c1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.72
KDM4E B2RXH2 7/20 0.55
HTT P42858 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
LMNA P02545 4/20 0.55
OPRK1 P41145 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
TLR7 Q9NYK1 7/20 0.55
ALDH1A1 P00352 1/20 0.54
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.50
AGTR1 P30556 1/20 0.50
RECQL P46063 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
ALPL P05186 1/20 0.49
NPC1 O15118 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
CDK5 Q00535 1/20 0.49
PAX8 Q06710 1/20 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
SCHEMBL10062372 0.84 KDM5A (1.00) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL1147702 0.82 KDM4E (0.73) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL10061978 0.81 KDM5A (0.58) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL14810907 0.79 KDM4E (0.67) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL24931101 0.77 TLR7 (0.78) KDM4EHTTSMN1; SMN2LMNAOPRK1
Azapicyl SCHEMBL24931095 0.74 KDM4E (0.68) KDM4EHTTSMN1; SMN2LMNAOPRK1
SCHEMBL10061980 0.73 KDM5A (0.63) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL28287244 0.73 GRM5 (0.59) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL28871817 0.72 KDM5A (0.63) KDM5AKDM4EHTTSMN1; SMN2LMNA
SCHEMBL13850723 0.72 KDM4E (0.65) KDM5AKDM4EHTTSMN1; SMN2LMNA

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
EP-1853920-B1 FLUORESCENCE POLARIZATION ASSAYS FOR ACETYLTRANSFERASE/DEACETYLASE ACTIVITY SIRTRIS PHARMACEUTICALS INC (US) 2012-02-01 EP disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRTRIS PHARMACEUTICALS, INC. (US) 2009-03-12 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 US disclosed
US-20080293081-A1 Fluorescence Polarization Assays for Acetyltransferase/Deacetylase Activity SIRTRIS PHARMACEUTICALS, INC. (US) 2008-11-27 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 (2 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B KDM5A 971/4885KDM4E 1406/4885HTT 36/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 KDM5A 1060/4885KDM4E 2555/4885HTT 12/4885

“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.