SCHEMBL6489975

SCHEMBL6489975

CC1(C)OCC(C2OC3OC(C)(C)OC3C2OC(=O)CCC(=O)Oc2cccc(N3CCN(C(=O)c4c5ccccc5nc5ccccc45)CC3)c2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
P2RY12 Q9H244 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 2/20 0.33
SHMT2 P34897 1/20 0.33
HTR7 P34969 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6489029 0.92 KMT2A (0.34) KMT2ACA1CA2CA9ACACB
SCHEMBL6480148 0.76 LGALS8 (0.40) KMT2AACACBACACAP2RY12LMNA
SCHEMBL6491936 0.75 KMT2A (0.41) KMT2AACACBACACALMNAALDH1A1
SCHEMBL6479986 0.73 KMT2A (0.46) KMT2AACACBACACAP2RY12LMNA
SCHEMBL6500007 0.73 ALDH1A1 (0.47) KMT2AACACBACACAP2RY12LMNA
SCHEMBL6480776 0.72 KMT2A (0.53) KMT2AACACBACACALMNAALDH1A1
SCHEMBL2672023 0.72 CA2 (0.60) CA1CA2CA9LMNAALDH1A1
SCHEMBL6491894 0.70 KMT2A (0.52) KMT2AACACBACACALMNAALDH1A1
SCHEMBL10204186 0.69 CA2 (0.57) KMT2ACA1CA2CA9LMNA
SCHEMBL23742896 0.69 CA1 (0.46) KMT2ACA1CA2CA9ALDH1A1

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 KMT2A 1945/4885CA1 4876/4885CA2 4597/4885

“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.