SCHEMBL6479852

SCHEMBL6479852

CC(=O)Oc1cc(OC(C)=O)c2c(C(=O)N3CCN(c4cccc(C)n4)CC3)c3ccccc3nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 1/20 0.45
PARP1 P09874 1/20 0.44
NCF1 P14598 2/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HSD17B10 Q99714 4/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 2/20 0.38
ALOX15 P16050 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 1/20 0.38
HCRTR1 O43613 1/20 0.38

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
SCHEMBL6490681 0.90 SHMT2 (0.42) SHMT2NPC1RAB9AHSD17B10TSHR
SCHEMBL6482149 0.85 KMT2A (0.53) SHMT2TSHRLMNAMAPK1TP53
SCHEMBL6480598 0.80 PARP1 (0.48) PARP1NCF1NPC1RAB9ATSHR
SCHEMBL6480776 0.77 KMT2A (0.53) SHMT2NCF1RAB9AHSD17B10TSHR
SCHEMBL6233177 0.73 ACACB (0.53) PARP1NPC1RAB9AHSD17B10TSHR
SCHEMBL6481689 0.70 KDM4E (0.43) NPC1RAB9AHSD17B10TSHRLMNA
SCHEMBL6481452 0.70 KMT2A (0.52) TSHRLMNAMAPK1TP53KDM4E
SCHEMBL18854912 0.69 KMT2A (0.66) NPC1RAB9ATSHRLMNAMAPK1
SCHEMBL6491894 0.69 KMT2A (0.52) RAB9AHSD17B10TSHRLMNAMAPK1
SCHEMBL6488700 0.69 GAA (0.47) NCF1HSD17B10TSHRLMNAMAPK1

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 SHMT2 778/4885PARP1 1150/4885NCF1 4284/4885

“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.