SCHEMBL4425550

SCHEMBL4425550

COc1cc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 1.00
NPC1 O15118 2/20 1.00
MEN1 O00255 7/20 0.79
KMT2A Q03164 7/20 0.79
MAPT P10636 5/20 0.79
KDM4E B2RXH2 4/20 0.79
HPGD P15428 2/20 0.79
GAA P10253 3/20 0.73
GLA P06280 1/20 0.73
RECQL P46063 1/20 0.73
MITF O75030 2/20 0.69
HTT P42858 2/20 0.69
RAB9A P51151 1/20 0.69
PAX8 Q06710 1/20 0.69
ALDH1A1 P00352 3/20 0.67
GFER P55789 2/20 0.67
TSHR P16473 1/20 0.67
TUBB4A P04350 2/20 0.66
TUBB P07437 2/20 0.66
TUBA3C P0DPH7 2/20 0.66

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
SCHEMBL1751160 0.92 SMN1; SMN2 (0.85) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL31238159 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL4332183 0.89 SMN1; SMN2 (0.81) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL4427815 0.88 SMN1; SMN2 (0.79) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL4320545 0.86 TUBB4A (0.86) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL5999362 0.86 KDM4E (0.85) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL5959276 0.85 SMN1; SMN2 (0.73) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL4429056 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL4320586 0.84 MEN1 (0.82) SMN1; SMN2NPC1MEN1KMT2AMAPT
SCHEMBL4322223 0.83 TUBB4A (0.78) SMN1; SMN2NPC1MEN1KMT2AMAPT

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 13 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 claimed
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 claimed
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
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
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-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-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
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

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 SMN1; SMN2 3907/4885NPC1 3790/4885MEN1 2444/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 SMN1; SMN2 3893/4885NPC1 2578/4885MEN1 2109/4885

“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.