SCHEMBL4425544

SCHEMBL4425544

COc1cc(-c2c(C#N)c(=N)oc3cc(Br)ccc23)cc(Br)c1OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
HSD17B10 Q99714 5/20 0.33
HPGD P15428 4/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ADORA2A P29274 3/20 0.33
ADORA1 P30542 3/20 0.33
MAPK1 P28482 1/20 0.33
PABPC1 P11940 1/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL5618472 0.90 CA1 (0.39) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4428460 0.90 USP2 (0.37) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4553664 0.88 TUBB4A (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5618148 0.78 ALPL (0.45) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5618140 0.77 TUBB4A (0.33) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5618531 0.77 USP2 (0.41) KDM4EALDH1A1MEN1KMT2AMAOA
SCHEMBL5618463 0.77 CA1 (0.43) MAPTMAOAMAOBRXFP1PABPC1
SCHEMBL5619070 0.76 MAOB (0.36) KDM4EALDH1A1MAPTMAOAMAOB
SCHEMBL5618116 0.76 TUBB4A (0.42) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL5618561 0.69 TUBB4A (0.38) KDM4EALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US claimed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US claimed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US claimed
EP-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP disclosed
EP-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP disclosed
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-7053117-B2 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-30 US disclosed
US-7015328-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-03-21 US disclosed
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2006-02-16 US disclosed
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
EP-1392283-A4 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASE ACTIVATORS CYTOVIA INC (US) 2004-10-20 EP disclosed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
EP-1392283-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 US disclosed
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US disclosed
WO-2002092076-A1 SUBSTITUTED COUMARINS AND QUINOLINES AS CASPASES ACTIVATORS CYTOVIA, INC. (US) 2002-11-21 WO disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 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-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 KDM4E 2846/4885ALDH1A1 1275/4885MAPT 4446/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 KDM4E 2678/4885ALDH1A1 1656/4885MAPT 4420/4885
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 KDM4E 578/4885ALDH1A1 2014/4885MAPT 4768/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 KDM4E 625/4885ALDH1A1 774/4885MAPT 4726/4885

“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.