SCHEMBL4910969

SCHEMBL4910969

Cc1cccc2c(Nc3cc(CO)cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(C(=O)O)c3nc12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.43
TOP2B Q02880 5/20 0.43
KDM1A O60341 2/20 0.40
PARP1 P09874 2/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 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
SCHEMBL4910330 0.92 KDM1A (0.42) KDM1APARP1EGFRERBB2CYP3A4
SCHEMBL4912374 0.92 TOP2A (0.41) TOP2ATOP2BKDM1APARP1EGFR
SCHEMBL4907557 0.91 TOP2A (0.52) TOP2ATOP2BKDM1APARP1CYP3A4
SCHEMBL4915527 0.91 TOP2A (0.50) TOP2ATOP2BKDM1A
SCHEMBL4913140 0.90 KDM1A (0.42) TOP2ATOP2BKDM1APARP1
SCHEMBL4912623 0.89 KDM1A (0.39) KDM1ANPC1
SCHEMBL4909655 0.88 EGFR (0.41) KDM1AEGFRERBB2MEN1NPC1
SCHEMBL4904603 0.87 KDM1A (0.42) KDM1APARP1EGFRERBB2CYP3A4
SCHEMBL4908949 0.86 ABL1 (0.45) KDM1APARP1EGFRERBB2MEN1
SCHEMBL4913385 0.85 KDM1A (0.46) TOP2ATOP2BKDM1APARP1KMT2A

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.