SCHEMBL4331789

SCHEMBL4331789

CN(C)c1ccc2c(c1)OC(N)=C(C#N)C2c1cccc(O)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.76
KMT2A Q03164 13/20 0.76
NPSR1 Q6W5P4 4/20 0.76
MAPK1 P28482 3/20 0.76
TSHR P16473 3/20 0.76
MAPT P10636 3/20 0.76
GAA P10253 3/20 0.76
HTT P42858 3/20 0.76
ALOX15 P16050 3/20 0.76
CASP1 P29466 3/20 0.76
LMNA P02545 2/20 0.76
TP53 P04637 2/20 0.76
USP2 O75604 2/20 0.76
CASP7 P55210 2/20 0.76
ALDH1A1 P00352 4/20 0.65
HSD17B10 Q99714 3/20 0.65
ESR2 Q92731 1/20 0.65
LNPEP Q9UIQ6 1/20 0.64
MPO P05164 1/20 0.60
TUBB4A P04350 2/20 0.58

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
SCHEMBL4331766 0.91 MEN1 (0.83) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4331607 0.88 MEN1 (0.79) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL30628032 0.87 MEN1 (0.78) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4333678 0.87 MEN1 (0.78) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4323748 0.87 MEN1 (0.78) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL30628026 0.86 KMT2A (1.00) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4330162 0.86 MEN1 (0.76) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4337184 0.86 MEN1 (0.76) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4330036 0.86 KMT2A (1.00) MEN1KMT2ANPSR1MAPK1TSHR
SCHEMBL4333653 0.86 MEN1 (0.72) MEN1KMT2ANPSR1MAPK1TSHR

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
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 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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MEN1 2868/4885KMT2A 3138/4885NPSR1 4346/4885

“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.