SCHEMBL14433467

SCHEMBL14433467

COc1ccc(N2CCN(C(=O)c3ccc4c(c3)NC(=O)c3ccccc3N4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 1/20 0.54
PARP14 Q460N5 1/20 0.54
PARP10 Q53GL7 1/20 0.54
DRD2 P14416 1/20 0.53
HTR2A P28223 1/20 0.53
POLB P06746 2/20 0.52
GAA P10253 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
USP2 O75604 2/20 0.50
CYP3A4 P08684 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RAB9A P51151 1/20 0.49
MCL1 Q07820 1/20 0.49
NAMPT P43490 1/20 0.48

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
SCHEMBL13430399 0.91 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTPARP14
SCHEMBL30522813 0.89 TSHR (0.55) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL13430401 0.87 LMNA (0.55) ALDH1A1LMNAMAPTPARP14PARP10
SCHEMBL12587775 0.84 MAPT (0.53) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL13430394 0.81 CHEK1 (0.58) ALDH1A1MAPTDRD2KDM4ESMN1; SMN2
SCHEMBL14433465 0.81 ALDH1A1 (0.53) ALDH1A1GAAL3MBTL1RAB9A
SCHEMBL23002806 0.80 HPGD (0.57) ALDH1A1POLBTSHR
SCHEMBL14433162 0.80 ALDH1A1 (0.55) ALDH1A1GAAHTTSMN1; SMN2L3MBTL1
SCHEMBL30522807 0.80 ALDH1A1 (0.55) ALDH1A1GAAHTTSMN1; SMN2L3MBTL1
SCHEMBL14433164 0.79 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ALMNAMAPT

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
WO-2007056388-A9 COMPOSITIONS AND METHODS FOR MODULATING POLY (ADP-RIBOSE) POLYMERASE ACTIVITY GEN HOSPITAL CORP (US) 2007-08-30 WO disclosed
WO-2007056388-A2 COMPOSITIONS AND METHODS FOR MODULATING POLY (ADP-RIBOSE) POLYMERASE ACTIVITY THE GENERAL HOSPITAL CORPORATION (US) 2007-05-18 WO disclosed
US-20070105835-A1 Compositions and methods for modulating poly(ADP-ribose) polymerase activity THE GENERAL HOSPITAL CORPORATION 2007-05-10 US disclosed
US-20070105835-A1 Compositions and methods for modulating poly(ADP-ribose) polymerase activity THE GENERAL HOSPITAL CORPORATION 2007-05-10 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 (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-20070105835-A1 Compositions and methods for modulating poly(ADP-ribose) polymerase activity PARP1, PARP11, PARP2 ALDH1A1 720/4885MEN1 3836/4885KMT2A 1385/4885

“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.