SCHEMBL2967378

SCHEMBL2967378

COc1cc(/C=N/CC(OC)OC)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
AMY1A P0DUB6 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.43
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
TUBB1 Q9H4B7 5/20 0.41
TUBB4A P04350 4/20 0.41
TUBB P07437 4/20 0.41
TUBA3C P0DPH7 4/20 0.41
TUBA1B P68363 4/20 0.41
TUBA4A P68366 4/20 0.41
TUBB4B P68371 4/20 0.41
TUBB3 Q13509 4/20 0.41
TUBB2A Q13885 4/20 0.41
TUBB8 Q3ZCM7 4/20 0.41
TUBA3E Q6PEY2 4/20 0.41
TUBA1A Q71U36 4/20 0.41

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
SCHEMBL2967381 1.00 HPGD (0.46) HPGDAMY1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL2233185 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A1CYP1A2
SCHEMBL2233181 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A1CYP1A2
SCHEMBL12348660 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP1A1CYP1A2
SCHEMBL25322838 0.80 AMY1A (0.53) HPGDAMY1ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL16432077 0.78 SHBG (0.39) HPGDSMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL16432078 0.78 SHBG (0.39) HPGDSMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL23301134 0.76 ERN1 (0.32)
SCHEMBL24165966 0.75 POLB (0.51) HPGDSMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL17913419 0.75 POLB (0.51) HPGDSMN1; SMN2ALDH1A1KDM4ECYP1A2

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 HPGD 729/4885AMY1A 4295/4885SMN1; SMN2 2906/4885

“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.