SCHEMBL4336221

SCHEMBL4336221

COc1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 4/20 0.58
GFER P55789 1/20 0.58
MEN1 O00255 10/20 0.57
KMT2A Q03164 10/20 0.57
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HPGD P15428 1/20 0.56
LMNA P02545 4/20 0.55
CASP1 P29466 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 2/20 0.55
NPC1 O15118 2/20 0.54
ESR2 Q92731 1/20 0.53
GAA P10253 3/20 0.52
HTT P42858 3/20 0.52
TP53 P04637 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52

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
SCHEMBL5959381 0.91 ALDH1A1 (0.60) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL4320562 0.91 MAPK1 (0.65) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL31237204 0.91 MAPK1 (0.65) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL5959439 0.88 MEN1 (0.67) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL4327635 0.87 ALDH1A1 (0.62) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL4334953 0.86 MEN1 (0.73) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL5959320 0.86 NPC1 (0.73) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL4332782 0.86 ALDH1A1 (0.55) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL4431187 0.84 MEN1 (0.77) KDM4EALDH1A1TSHRGFERMEN1
SCHEMBL4326091 0.84 ALDH1A1 (0.64) KDM4EALDH1A1TSHRGFERMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US claimed
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 claimed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
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 claimed
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 claimed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP claimed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO claimed
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 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-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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US 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-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP 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-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
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 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 (3 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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 KDM4E 789/4885ALDH1A1 2306/4885TSHR 2030/4885
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 2014/4885TSHR 1184/4885
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 774/4885TSHR 2426/4885

“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.