SCHEMBL3764575

SCHEMBL3764575

CC(=O)Nc1ccc(Nc2nccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
KMT2A Q03164 6/20 0.56
POLB P06746 6/20 0.56
KDM4E B2RXH2 5/20 0.56
KDM1A O60341 1/20 0.56
MITF O75030 1/20 0.56
LMNA P02545 1/20 0.56
RAD52 P43351 1/20 0.56
RECQL P46063 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 2/20 0.55
JAK2 O60674 1/20 0.52
JAK3 P52333 1/20 0.52
FYN P06241 1/20 0.52
HSD17B10 Q99714 3/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 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
SCHEMBL4411955 0.85 FDPS (0.53) KMT2APOLBKDM4EMEN1ALDH1A1
SCHEMBL4497329 0.80 ABCG2 (0.58) MAPTKMT2APOLBLMNARECQL
SCHEMBL20356687 0.80 NPC1 (0.56) MAPTKMT2APOLBKDM4EKDM1A
SCHEMBL3768687 0.80 EGFR (0.71) MAPTKMT2APOLBKDM4EKDM1A
SCHEMBL1921849 0.80 ABCG2 (0.53) MAPTKMT2APOLBKDM4EKDM1A
SCHEMBL3759489 0.79 F12 (0.52) MAPTKDM4EKDM1ARAD52L3MBTL1
SCHEMBL31098979 0.77 TNF (0.57) SMN1; SMN2NPSR1ALDH1A1CYP2C9HPGD
SCHEMBL20852287 0.77 EGFR (0.60) MAPTKMT2AKDM4EKDM1ALMNA
SCHEMBL31098966 0.77 TNF (0.57) MAPTKMT2APOLBSMN1; SMN2MEN1
SCHEMBL15221762 0.77 FDPS (0.49) POLBNPC1RAB9AEGFRKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842805-B2 Pharmaceutical compounds as activators of caspases and inducers of apoptosis and the use thereof MYREXIS, INC. (US) 2010-11-30 US disclosed
EP-1833803-A4 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS INC (US) 2009-08-05 EP disclosed
US-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2008-01-24 US disclosed
EP-1833803-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2007-09-19 EP disclosed
WO-2006074223-A2 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF MYRIAD GENETICS, INC. (US) 2006-07-13 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 (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-20080020985-A1 PHARMACEUTICAL COMPOUNDS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP3, CASP2, CASP5 MAPT 2963/4885KMT2A 3884/4885POLB 2925/4885

“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.