SCHEMBL4902872

SCHEMBL4902872

CCCC(=O)Nc1cc(COC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.55
TOP2B Q02880 6/20 0.55
KDM1A O60341 2/20 0.45
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
GLA P06280 2/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
RAD52 P43351 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL4913408 0.94 TOP2A (0.56) TOP2ATOP2BKDM1AHDAC1HDAC2
SCHEMBL4906475 0.93 TOP2A (0.56) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4905054 0.92 TOP2A (0.57) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4905048 0.92 TOP2A (0.55) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4911778 0.91 TOP2A (0.58) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4906429 0.91 TOP2A (0.57) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL15101334 0.90 TOP2A (0.52) TOP2ATOP2BKDM1AHDAC1HDAC2
SCHEMBL4903058 0.88 TOP2A (0.55) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4903022 0.88 TOP2A (0.55) TOP2ATOP2BKDM1AKDM4EMAPT
SCHEMBL4906288 0.88 TOP2A (0.72) TOP2ATOP2BKDM1AKDM4EMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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.