SCHEMBL2965510

SCHEMBL2965510

COc1ccc(OC)c(/C=N/CC(OC)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.50
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 5/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A1 P04798 4/20 0.47
CYP1B1 Q16678 4/20 0.47
NFE2L2 Q16236 3/20 0.47
CYP1A2 P05177 3/20 0.47
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
CYP19A1 P11511 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL2965515 1.00 KMT2A (0.50) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL26933077 0.84 AMY1A (0.51) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL22925067 0.81 CYP1A1 (0.53) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL2973278 0.77 KDM4E (0.48) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL5394265 0.77 ERN1 (0.54) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL2973281 0.77 KDM4E (0.48) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL5394260 0.77 ERN1 (0.54) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL11848327 0.77 CYP1A1 (0.59) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL8245121 0.76 CYP1A2 (0.46) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL8207538 0.75 CYP1A1 (0.58) KMT2AALDH1A1KDM4EMEN1MAPT

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 KMT2A 880/4885ALDH1A1 3097/4885KDM4E 1162/4885

“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.