SCHEMBL6480598

SCHEMBL6480598

Cc1cccc(N2CCN(C(=O)c3c4ccccc4nc4cc(O)cc(O)c34)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
NCF1 P14598 2/20 0.44
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
RCE1 Q9Y256 1/20 0.41
LMNA P02545 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
CCR4 P51679 1/20 0.40
TP53 P04637 1/20 0.40
KCNH2 Q12809 1/20 0.40
GBA1 P04062 1/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL6488700 0.88 GAA (0.47) NCF1MAPK1KDM4ETSHRRCE1
SCHEMBL6481689 0.88 KDM4E (0.43) NPC1RAB9AMAPK1KDM4ETSHR
SCHEMBL6479563 0.85 PARP1 (0.51) PARP1NPC1RAB9ANCF1MAPK1
SCHEMBL6480584 0.84 DRD4 (0.48) MAPK1KDM4ETSHRLMNATP53
SCHEMBL6479250 0.82 ALDH1A1 (0.52) MAPK1KDM4ETSHRLMNATP53
SCHEMBL6480233 0.82 SLC6A7 (0.52) NPC1RAB9AMAPK1KDM4ETSHR
SCHEMBL6481851 0.82 KMT2A (0.59) NPC1RAB9AMAPK1KDM4ETSHR
SCHEMBL6479852 0.80 SHMT2 (0.45) PARP1NPC1RAB9ANCF1MAPK1
SCHEMBL6233177 0.78 ACACB (0.53) PARP1NPC1RAB9AKDM4ETSHR
SCHEMBL4147974 0.74 POLB (0.51) NPC1RAB9AKDM4EHTR3EHTR3B

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 PARP1 1150/4885NPC1 1867/4885RAB9A 3049/4885

“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.