SCHEMBL4906231

SCHEMBL4906231

CCOC(=O)Nc1cc(COC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3cccc(C)c3nc3c(C(=O)NCCN(C)C)cccc23)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 6/20 0.40
AOX1 Q06278 1/20 0.39
UHRF1 Q96T88 1/20 0.39
TOP2A P11388 2/20 0.38
TOP2B Q02880 2/20 0.38
SMARCA2 P51531 1/20 0.37
MOK Q9UQ07 1/20 0.36
KDM1A O60341 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SRC P12931 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL4907578 0.93 RAD52 (0.38) RAD52AOX1UHRF1TOP2ATOP2B
SCHEMBL4913012 0.87 TOP2A (0.41) RAD52AOX1UHRF1TOP2ATOP2B
SCHEMBL6792752 0.86 AOX1 (0.44) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL4911335 0.86 RAD52 (0.42) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL4910635 0.85 TOP2A (0.51) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4911394 0.84 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL6798084 0.82 MAPK14 (0.45) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL15097291 0.82 RAD52 (0.44) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL4906249 0.82 RAD52 (0.41) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL4913169 0.82 RAD52 (0.41) RAD52AOX1UHRF1SMARCA2MOK

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 RAD52 717/4885AOX1 801/4885UHRF1 1432/4885

“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.