SCHEMBL6480233

SCHEMBL6480233

O=C(c1c2ccccc2nc2cc(O)cc(O)c12)N1CCN(c2cnccn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.52
MAPK1 P28482 3/20 0.45
LMNA P02545 2/20 0.45
KDM4E B2RXH2 4/20 0.45
TSHR P16473 2/20 0.45
RCE1 Q9Y256 1/20 0.45
NAMPT P43490 1/20 0.43
POLB P06746 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 2/20 0.40
PKM P14618 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL6479563 0.86 PARP1 (0.51) MAPK1LMNAKDM4ETSHRRCE1
SCHEMBL6480598 0.82 PARP1 (0.48) MAPK1LMNAKDM4ETSHRRCE1
SCHEMBL6488700 0.82 GAA (0.47) MAPK1LMNAKDM4ETSHRRCE1
SCHEMBL6480584 0.81 DRD4 (0.48) MAPK1LMNAKDM4ETSHRKMT2A
SCHEMBL6481689 0.79 KDM4E (0.43) MAPK1LMNAKDM4ETSHRRCE1
SCHEMBL6479250 0.79 ALDH1A1 (0.52) MAPK1LMNAKDM4ETSHRPOLB
SCHEMBL6230408 0.78 SLC6A7 (0.60) SLC6A7KDM4ENAMPTPOLBKMT2A
SCHEMBL6481851 0.77 KMT2A (0.59) MAPK1LMNAKDM4ETSHRKMT2A
SCHEMBL23244334 0.74 ME2 (0.58) MAPK1LMNAKDM4ETSHRRCE1
SCHEMBL29577260 0.74 ME2 (0.58) MAPK1LMNAKDM4ETSHRRCE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors ZENTARIS GMBH (DE) 2005-01-13 US claimed
WO-2005007643-A1 NOVEL ACRIDINE DERIVATIVES AND USE THEREOF AS MEDICAMENTS ZENTARIS GMBH (DE) 2005-01-27 WO disclosed
US-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors ZENTARIS GMBH (DE) 2005-01-13 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-20050009809-A1 Aryl- and heteroaryl-substituted piperazinylcarbonyl acridines and their homologs, e.g., (1,3-dihydroxyacridin-9-yl)-[4-(6-methyl pyridin-2-yl )piperazin-1-yl]methanone,are suitable for treating benign and malignant tumors PKD1, MDH2, MSH2 SLC6A7 3499/4885MAPK1 575/4885LMNA 815/4885

“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.