SCHEMBL4905091

SCHEMBL4905091

CN(C)CCNC(=O)c1cccc2c(Nc3cc(CO)cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
RAD52 P43351 6/20 0.44
UHRF1 Q96T88 1/20 0.43
MOK Q9UQ07 1/20 0.40
AOX1 Q06278 1/20 0.40
SMARCA2 P51531 1/20 0.39
POLR1A O95602 1/20 0.37
KDM1A O60341 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4910536 0.93 RAD52 (0.45) TOP2ATOP2BRAD52UHRF1MOK
SCHEMBL4909918 0.92 RAD52 (0.47) TOP2ATOP2BRAD52UHRF1MOK
SCHEMBL4913012 0.92 TOP2A (0.41) TOP2ATOP2BRAD52UHRF1MOK
SCHEMBL4911013 0.91 TOP2A (0.46) TOP2ATOP2BKDM1AALDH1A1MAPT
SCHEMBL4902855 0.91 RAD52 (0.43) TOP2ATOP2BRAD52UHRF1MOK
SCHEMBL4901467 0.88 TOP2A (0.49) TOP2ATOP2BKDM1AALDH1A1MAPT
SCHEMBL4909597 0.86 RAD52 (0.44) RAD52UHRF1MOKAOX1SMARCA2
SCHEMBL4902457 0.86 RAD52 (0.44) RAD52UHRF1MOKAOX1SMARCA2
SCHEMBL4909275 0.86 TOP2A (0.55) TOP2ATOP2BRAD52KDM1AALDH1A1
SCHEMBL4911335 0.86 RAD52 (0.42) RAD52UHRF1MOKAOX1SMARCA2

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-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 19/4885RAD52 717/4885

“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.