SCHEMBL10061806

SCHEMBL10061806

CC(=O)Nc1ccc(Nc2cc(C)nc3c(C)cccc23)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.77
KDM4E B2RXH2 4/20 0.77
MEN1 O00255 3/20 0.77
RAD52 P43351 2/20 0.67
TP53 P04637 2/20 0.59
NPC1 O15118 4/20 0.56
GAA P10253 2/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MAPT P10636 4/20 0.52
GUSB P08236 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM1A O60341 1/20 0.48
MITF O75030 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL13692664 0.82 KMT2A (0.78) KMT2AKDM4EMEN1RAD52TP53
SCHEMBL20605594 0.81 MAPT (0.56) KMT2AKDM4EMEN1RAD52NPC1
SCHEMBL20605588 0.79 MEN1 (0.51) KMT2AKDM4EMEN1RAD52MAPT
Hydrochloric Acid SCHEMBL2460425 0.78 KMT2A (0.73) KMT2AKDM4EMEN1RAD52TP53
SCHEMBL13692649 0.76 KMT2A (0.71) KMT2AKDM4EMEN1RAD52TP53
SCHEMBL20605535 0.76 MEN1 (0.53) KMT2AKDM4EMEN1RAD52TP53
SCHEMBL21346881 0.74 TP53 (0.71) KMT2AKDM4EMEN1RAD52TP53
SCHEMBL9709748 0.74 KMT2A (0.56) KMT2AKDM4EMEN1RAD52TP53
SCHEMBL20605450 0.74 KMT2A (0.49) KMT2AKDM4EMEN1GAASMN1; SMN2
SCHEMBL6608655 0.73 HTT (0.59) KMT2AKDM4EMEN1RAD52NPC1

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 KMT2A 422/4885KDM4E 1406/4885MEN1 2682/4885
US-20090069301-A1 Acridine and Quinoline Derivatives as Sirtuin Modulators SIRT1, SIRT3, SIRT2 KMT2A 1098/4885KDM4E 2555/4885MEN1 3703/4885

“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.