SCHEMBL4426708

SCHEMBL4426708

COc1cccc(C2C(C#N)=C(N)Oc3c2ccc2c3OCO2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
LMNA P02545 3/20 0.57
CASP1 P29466 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
HSD17B10 Q99714 4/20 0.56
MAPK1 P28482 2/20 0.56
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MYB P10242 5/20 0.51
MAPT P10636 6/20 0.51
ALOX15 P16050 4/20 0.51
HPGD P15428 4/20 0.51
HTT P42858 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
MITF O75030 2/20 0.51
GAA P10253 2/20 0.51
TUBB4A P04350 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL31237623 0.85 MEN1 (0.78) ALDH1A1MEN1KMT2ALMNACASP1
SCHEMBL4426684 0.81 MAPK1 (0.61) ALDH1A1MEN1KMT2ALMNACASP1
SCHEMBL31237204 0.80 MAPK1 (0.65) ALDH1A1MEN1KMT2ALMNACASP1
SCHEMBL4320562 0.80 MAPK1 (0.65) ALDH1A1MEN1KMT2ALMNACASP1
SCHEMBL4425522 0.79 TUBB4A (0.67) ALDH1A1MEN1KMT2ALMNACASP1
SCHEMBL31237961 0.79 MYB (0.80) L3MBTL1MYBMAPTGAARAB9A
SCHEMBL8538963 0.79 MYB (0.80) L3MBTL1MYBMAPTGAARAB9A
SCHEMBL4426296 0.78 TUBB4A (0.66) ALDH1A1HSD17B10MAPK1L3MBTL1MYB
SCHEMBL4426920 0.78 TUBB4A (0.66) ALDH1A1HSD17B10MAPK1L3MBTL1MYB
SCHEMBL13601123 0.78 MAPK1 (0.58) ALDH1A1MEN1KMT2ALMNACASP1

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 ALDH1A1 2014/4885MEN1 2444/4885KMT2A 2978/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 ALDH1A1 774/4885MEN1 2109/4885KMT2A 3266/4885

“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.