SCHEMBL4425533

SCHEMBL4425533

COc1cccc(C2C(C#N)=C(N)Oc3c2ccc2occc32)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MYB P10242 13/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
THRB P10828 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL31237961 0.84 MYB (0.80) MYBL3MBTL1KDM4EMAPTGAA
SCHEMBL8538963 0.84 MYB (0.80) MYBL3MBTL1KDM4EMAPTGAA
SCHEMBL4426684 0.82 MAPK1 (0.61) MAPK1HSD17B10MYBL3MBTL1ALDH1A1
SCHEMBL4426920 0.81 TUBB4A (0.66) MAPK1HSD17B10MYBL3MBTL1ALDH1A1
SCHEMBL4321663 0.81 MAPK1 (0.54) MAPK1HSD17B10MYBL3MBTL1ALDH1A1
SCHEMBL8112666 0.81 HSD17B10 (0.57) MAPK1HSD17B10MYBL3MBTL1ALDH1A1
SCHEMBL8117263 0.80 MYB (0.61) MAPK1HSD17B10MYBALDH1A1KDM4E
SCHEMBL4426363 0.79 TUBB4A (0.71) MYBSMN1; SMN2RAB9A
SCHEMBL31237204 0.78 MAPK1 (0.65) MAPK1HSD17B10L3MBTL1ALDH1A1KDM4E
SCHEMBL4320562 0.78 MAPK1 (0.65) MAPK1HSD17B10L3MBTL1ALDH1A1KDM4E

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 7 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
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
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
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

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 MAPK1 1616/4885HSD17B10 930/4885MYB 251/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 MAPK1 673/4885HSD17B10 705/4885MYB 1016/4885

“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.