Sugi Predict

Sugi Predict / Compounds / SCHEMBL6481689

SCHEMBL6481689

SCHEMBL6481689

COc1cccc(N2CCN(C(=O)c3c4ccccc4nc4cc(O)cc(O)c34)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.43
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 4/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL6480598 0.88 PARP1 (0.48) KDM4ETSHRLMNAMAPK1NPC1
SCHEMBL6488700 0.86 GAA (0.47) KDM4EALDH1A1TSHRHSD17B10LMNA
SCHEMBL6481851 0.85 KMT2A (0.59) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL6490681 0.81 SHMT2 (0.42) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL6480584 0.81 DRD4 (0.48) KDM4EALDH1A1TSHRHSD17B10LMNA
SCHEMBL6479563 0.80 PARP1 (0.51) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL6479250 0.80 ALDH1A1 (0.52) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL6480233 0.79 SLC6A7 (0.52) KDM4EALDH1A1TSHRHSD17B10LMNA
SCHEMBL6480131 0.75 KMT2A (0.54) KDM4EALDH1A1TSHRLMNAMAPK1
SCHEMBL6882152 0.74 ALDH1A1 (0.59) KDM4EALDH1A1TSHRHSD17B10HPGD

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 KDM4E 1923/4885ALDH1A1 23/4885TSHR 2692/4885

“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.