SCHEMBL4909598

SCHEMBL4909598

COc1cccc2c(Nc3cc(CO)cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.53
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
PARP1 P09874 2/20 0.45

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
SCHEMBL4910324 0.93 KDM1A (0.55) KDM1APARP1
SCHEMBL4913437 0.92 KDM1A (0.55) KDM1APARP1
SCHEMBL4913140 0.91 KDM1A (0.42) KDM1ATOP2ATOP2BPARP1
SCHEMBL4912328 0.91 KDM1A (0.48) KDM1ATOP2ATOP2BPARP1
SCHEMBL4907557 0.90 TOP2A (0.52) KDM1ATOP2ATOP2BPARP1
SCHEMBL4915527 0.89 TOP2A (0.50) KDM1ATOP2ATOP2B
SCHEMBL4912853 0.88 KDM1A (0.39) KDM1ATOP2ATOP2BPARP1
SCHEMBL4904565 0.88 TOP2A (0.59) KDM1ATOP2ATOP2B
SCHEMBL4908994 0.87 KDM1A (0.55) KDM1APARP1
SCHEMBL4910017 0.87 TOP2A (0.49) KDM1ATOP2ATOP2B

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 KDM1A 722/4885TOP2A 16/4885TOP2B 19/4885

“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.