SCHEMBL2973281

SCHEMBL2973281

COc1ccc(C=NCC(OC)OC)c(OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 6/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 3/20 0.43
GFER P55789 2/20 0.43
KMT2A Q03164 3/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 2/20 0.42
CYP1A1 P04798 2/20 0.42
CYP1B1 Q16678 2/20 0.42
POLB P06746 2/20 0.41
CYP19A1 P11511 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CRHBP P24387 1/20 0.39

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
SCHEMBL2973278 1.00 KDM4E (0.48) KDM4EALDH1A1L3MBTL1CYP1A2MAPT
SCHEMBL15495288 0.88 ALDH1A1 (0.40) KDM4EALDH1A1L3MBTL1CYP1A2MAPT
SCHEMBL2965510 0.77 KMT2A (0.50) KDM4EALDH1A1CYP1A2MAPTNPC1
SCHEMBL2965515 0.77 KMT2A (0.50) KDM4EALDH1A1CYP1A2MAPTNPC1
SCHEMBL5397183 0.76 ERN1 (0.51) KDM4EALDH1A1L3MBTL1CYP1A2MAPT
SCHEMBL5397187 0.76 ERN1 (0.51) KDM4EALDH1A1L3MBTL1CYP1A2MAPT
SCHEMBL26933077 0.76 AMY1A (0.51) KDM4EALDH1A1L3MBTL1CYP1A2MAPT
SCHEMBL2967381 0.74 HPGD (0.46) KDM4EALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL2967378 0.74 HPGD (0.46) KDM4EALDH1A1CYP1A2MAPTSMN1; SMN2
SCHEMBL14958112 0.74 MAPT (0.47) KDM4EALDH1A1CYP1A2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7781445-B2 Synthesis of indenoisoquinoliniums and methods of use PURDUE RESEARCH FOUNDATION (US) 2010-08-24 US disclosed
US-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use PURDUE RESEARCH FOUNDATION 2008-10-02 US disclosed
EP-1735281-A2 SYNTHESIS OF INDENOISOQUINOLINIUMS AND METHODS OF USE Purdue Research Foundation (US) 2006-12-27 EP disclosed
WO-2005089294-A2 SYNTHESIS OF INDENOISOQUINOLINIUMS AND METHODS OF USE PURDUE RESEARCH FOUNDATION (US) 2005-09-29 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 (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-20080242692-A1 Synthesis of Indenoisoquinoliniums and Methods of Use INMT, QTRT1, QTRT2 KDM4E 1162/4885ALDH1A1 3097/4885L3MBTL1 2235/4885

“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.