SCHEMBL4911013

SCHEMBL4911013

CNC(=O)c1cccc2c(Nc3cc(CO)cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.46
TOP2B Q02880 8/20 0.46
KDM1A O60341 6/20 0.36
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
KDR P35968 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
GFER P55789 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 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
SCHEMBL4938439 0.93 TOP2A (0.41) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL4913194 0.92 TOP2A (0.41) TOP2ATOP2BKDM1AKDRKDM4E
SCHEMBL4937115 0.92 TOP2A (0.38) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL4901467 0.91 TOP2A (0.49) TOP2ATOP2BKDM1AKDRKDM4E
SCHEMBL4905091 0.91 TOP2A (0.49) TOP2ATOP2BKDM1AALDH1A1MAPT
SCHEMBL4910017 0.90 TOP2A (0.49) TOP2ATOP2BKDM1AKDR
SCHEMBL4910521 0.90 TOP2A (0.37) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL4909275 0.89 TOP2A (0.55) TOP2ATOP2BKDM1AKDM4EMEN1
SCHEMBL4912328 0.89 KDM1A (0.48) TOP2ATOP2BKDM1A
SCHEMBL4910224 0.87 EGFR (0.42) TOP2ATOP2BKDM1AEGFRERBB2

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 19/4885KDM1A 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.