SCHEMBL4938439

SCHEMBL4938439

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.41
TOP2B Q02880 3/20 0.41
KDM1A O60341 5/20 0.39
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
CYP3A4 P08684 1/20 0.36
PARP1 P09874 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4913194 0.93 TOP2A (0.41) TOP2ATOP2BKDM1AMAPTGAA
SCHEMBL4911013 0.93 TOP2A (0.46) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL4909678 0.92 KDM1A (0.35) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL4915705 0.91 KDM1A (0.48) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL4910536 0.91 RAD52 (0.45) TOP2ATOP2BKDM1AMAPT
SCHEMBL4912634 0.90 FLT1 (0.45) TOP2ATOP2BKDM1AEGFRERBB2
SCHEMBL10454646 0.90 TOP2A (0.46) TOP2ATOP2BKDM1AMAPT
SCHEMBL4902918 0.90 KDM1A (0.36) KDM1AEGFRERBB2MAPTPARP1
SCHEMBL4912187 0.89 KDM1A (0.49) TOP2ATOP2BKDM1AGAAPARP1
SCHEMBL4913235 0.88 KDM1A (0.40) KDM1AEGFRERBB2MAPTCYP3A4

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.