SCHEMBL4910017

SCHEMBL4910017

CNC(=O)c1cccc2c(Nc3cc(CO)cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
KDM1A O60341 4/20 0.41
FLT1 P17948 1/20 0.39
KDR P35968 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
SCHEMBL4912634 0.92 FLT1 (0.45) TOP2ATOP2BKDM1AFLT1KDR
SCHEMBL4915527 0.92 TOP2A (0.50) TOP2ATOP2BKDM1A
SCHEMBL4912374 0.91 TOP2A (0.41) TOP2ATOP2BKDM1AFLT1KDR
SCHEMBL4907557 0.90 TOP2A (0.52) TOP2ATOP2BKDM1A
SCHEMBL4911013 0.90 TOP2A (0.46) TOP2ATOP2BKDM1AKDR
SCHEMBL4912853 0.88 KDM1A (0.39) TOP2ATOP2BKDM1AKDR
SCHEMBL4904565 0.88 TOP2A (0.59) TOP2ATOP2BKDM1A
SCHEMBL4907445 0.87 EGFR (0.44) KDM1AFLT1KDR
SCHEMBL4909598 0.87 KDM1A (0.53) TOP2ATOP2BKDM1A
SCHEMBL4912881 0.86 KDM1A (0.42) KDM1AFLT1KDR

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.