SCHEMBL4901598

SCHEMBL4901598

CC(=O)Nc1cc(COC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 7/20 0.50
TOP2B Q02880 7/20 0.50
KDM1A O60341 4/20 0.49
KDM4E B2RXH2 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
RAD52 P43351 1/20 0.49
RECQL P46063 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HDAC3 O15379 1/20 0.39
APP P05067 1/20 0.39
ACHE P22303 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39

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
SCHEMBL4910481 0.93 TOP2A (0.52) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4912597 0.93 TOP2A (0.48) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4912224 0.92 TOP2A (0.51) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4904578 0.90 TOP2A (0.64) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4910379 0.90 TOP2A (0.49) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4905149 0.90 TOP2A (0.49) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4901789 0.90 TOP2A (0.49) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4906429 0.90 TOP2A (0.57) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL4910432 0.86 TOP2A (0.45) TOP2ATOP2BKDM1AKDM4EMITF
SCHEMBL15097326 0.84 KDM1A (0.44) TOP2ATOP2BKDM1AKDM4EPOLB

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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 US claimed
US-8222297-B2 e.g. 1-[3-(acridin-9-ylamino)-5-hydroxymethylphenyl]-3-{4-[bis(2-chloroethyl)amino]phenyl}urea; anticarcinogenic agent; improved chemical stability and efficacy; brain tumor, breast cancer, colon cancer, leukemia, and neuroblastoma ACADEMIA SINICA (TW) 2012-07-17 US disclosed
US-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2008-07-17 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-20080171765-A1 Aniline or phenol mustards linked to DNA-affinic molecules or water-soluble aromatic rings and their use as cancer therapeutic agents WEE1, PCNA, ATIC TOP2A 16/4885TOP2B 19/4885KDM1A 722/4885

“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.