SCHEMBL6479563

SCHEMBL6479563

Cc1ccnc(N2CCN(C(=O)c3c4ccccc4nc4cc(O)cc(O)c34)CC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
KDM4E B2RXH2 9/20 0.45
LMNA P02545 5/20 0.45
HSD17B10 Q99714 5/20 0.45
TSHR P16473 4/20 0.45
TP53 P04637 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
HTT P42858 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
ALOX15 P16050 2/20 0.44
MAPK1 P28482 4/20 0.44
RCE1 Q9Y256 1/20 0.44
HPGD P15428 2/20 0.44
GLA P06280 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL6480233 0.86 SLC6A7 (0.52) KDM4ELMNAHSD17B10TSHRTP53
SCHEMBL6480598 0.85 PARP1 (0.48) PARP1KDM4ELMNATSHRTP53
SCHEMBL6488700 0.81 GAA (0.47) KDM4ELMNAHSD17B10TSHRSMN1; SMN2
SCHEMBL6481689 0.80 KDM4E (0.43) KDM4ELMNAHSD17B10TSHRTP53
SCHEMBL6480584 0.80 DRD4 (0.48) KDM4ELMNAHSD17B10TSHRTP53
SCHEMBL6479250 0.79 ALDH1A1 (0.52) KDM4ELMNATSHRTP53SMN1; SMN2
SCHEMBL6481851 0.78 KMT2A (0.59) KDM4ELMNATSHRTP53SMN1; SMN2
SCHEMBL23244334 0.71 ME2 (0.58) PARP1KDM4ELMNAHSD17B10TSHR
SCHEMBL29577260 0.71 ME2 (0.58) PARP1KDM4ELMNAHSD17B10TSHR
SCHEMBL15450884 0.70 KDM4E (0.51) PARP1KDM4ELMNAHSD17B10TSHR

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 2 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
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 1150/4885KDM4E 1923/4885LMNA 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.