SCHEMBL3986033

SCHEMBL3986033

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 8/20 0.60
TOP2B Q02880 8/20 0.60
EGFR P00533 2/20 0.49
REN P00797 2/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.45
MAP1LC3A Q9H492 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 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
SCHEMBL3980219 0.91 TOP2A (0.60) TOP2ATOP2BRENMEN1NPC1
SCHEMBL3980928 0.90 TOP2A (0.62) TOP2ATOP2BMEN1NPC1GAA
SCHEMBL3981536 0.89 TOP2A (0.61) TOP2ATOP2BEGFRMEN1NPC1
SCHEMBL8104150 0.88 TOP2A (0.60) TOP2ATOP2BKMT2AHDAC4HDAC1
SCHEMBL3986028 0.88 TOP2A (0.61) TOP2ATOP2BMEN1NPC1GAA
SCHEMBL3980933 0.86 TOP2A (0.58) TOP2ATOP2BEGFRMEN1NPC1
SCHEMBL8484621 0.86 TOP2A (0.78) TOP2ATOP2BMEN1NPC1GAA
SCHEMBL3987573 0.85 TOP2A (0.56) TOP2ATOP2BMEN1NPC1GAA
SCHEMBL4257864 0.81 TOP2A (0.61) TOP2ATOP2BAAK1KMT2AHDAC4
SCHEMBL3984146 0.81 TOP2A (0.52) TOP2ATOP2BMEN1NPC1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1380574-B1 9-aminoacridine derivates and process for the preparation thereof SAMJIN PHARM CO LTD (KR) 2009-05-20 EP disclosed
EP-1380574-A1 9-aminoacridine derivates and process for the preparation thereof Samjin Pharmaceutical Co., Ltd. (KR) 2004-01-14 EP disclosed
US-6620936-B2 Antitumor agents, topoisomerase inhibitors, notoxic SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2003-09-16 US disclosed
US-20020111491-A1 9-aminoacridine derivatives and process for the preparation thereof SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2002-08-15 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-20020111491-A1 9-aminoacridine derivatives and process for the preparation thereof ALKBH1, ADCY9, CCR9 TOP2A 1105/4885TOP2B 841/4885EGFR 879/4885

“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.