SCHEMBL4426408

SCHEMBL4426408

N=c1ccc2ccc(N)cc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.47
PSMB8 P28062 1/20 0.46
ALDH1A1 P00352 10/20 0.39
KDM4E B2RXH2 7/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
HPGD P15428 6/20 0.39
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 4/20 0.39
GLA P06280 2/20 0.39
HSD17B10 Q99714 5/20 0.38
CYP3A4 P08684 2/20 0.38
FLT3 P36888 1/20 0.37
CASP1 P29466 4/20 0.37
CASP7 P55210 3/20 0.37
ALOX15 P16050 1/20 0.37
HBB P68871 1/20 0.37

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
SCHEMBL5158582 0.74 CA9 (0.59) CA2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL456597 0.74 CA12 (0.59) CA2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31331748 0.74 CA12 (0.59) CA2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9018982 0.73 CA2 (0.55) CA2PSMB8ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL28555105 0.72 CA12 (0.57) CA2ALDH1A1KDM4EMEN1KMT2A
Ammonia Solution, Strong SCHEMBL27680863 0.72 CA12 (0.57) CA2ALDH1A1KDM4EMEN1KMT2A
Methane SCHEMBL9701241 0.72 CA12 (0.57) CA2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL12778681 0.70 CA2 (0.52) CA2PSMB8ALDH1A1KDM4EMEN1
SCHEMBL6980491 0.70 CA2 (0.52) CA2PSMB8ALDH1A1KDM4EMEN1
SCHEMBL308355 0.69 CA2 (0.42) CA2PSMB8ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-100564377-C Be used as 4H-chromene and the analogue and the application thereof of the replacement of caspase activator and cell death inducer CYTOVIA INC (US) 2009-12-02 CN 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
CN-1516700-A Substituted 4H-chromenes and analogs as activators ofgasp ases and inducers of apoptosis and use thereof ά 2004-07-28 CN 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
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
US-4892922-A Polyester polymer containing the residue of a benzopyran colorant compound and shaped articles produced therefrom EASTMAN KODAK COMPANY (US) 1990-01-09 US disclosed
US-4892922-A Polyester polymer containing the residue of a benzopyran colorant compound and shaped articles produced therefrom EASTMAN KODAK COMPANY (US) 1990-01-09 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-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 CA2 2566/4885PSMB8 2588/4885ALDH1A1 2014/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 CA2 2310/4885PSMB8 2769/4885ALDH1A1 774/4885

“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.