SCHEMBL4910290

SCHEMBL4910290

OCc1cc(Nc2c3ccccc3nc3ccccc23)cc(OCCN(CCCl)CCCl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 9/20 0.55
TOP2B Q02880 8/20 0.55
POLB P06746 4/20 0.41
RAD52 P43351 4/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC2A1 P11166 1/20 0.41
KDM1A O60341 5/20 0.39
GFER P55789 2/20 0.39
MEN1 O00255 1/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38

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
SCHEMBL4934135 0.84 KDM1A (0.48) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL4941833 0.83 TOP2A (0.45) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL4941215 0.82 KMT2A (0.61) POLBRAD52KMT2AKDM4EMAPT
SCHEMBL4937021 0.82 TOP2A (0.59) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL4936777 0.78 KDM1A (0.46) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL4940783 0.78 TOP2A (0.57) TOP2ATOP2BPOLBRAD52KDM1A
SCHEMBL14116108 0.77 TOP2A (0.47) TOP2ATOP2BPOLBKDM4EMAPT
SCHEMBL4933388 0.77 KDM1A (0.49) TOP2ATOP2BPOLBRAD52KMT2A
SCHEMBL4948317 0.76 POLB (0.58) POLBRAD52KMT2AKDM4EMAPT
SCHEMBL4940719 0.76 KDM1A (0.55) POLBRAD52KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
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-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 US disclosed
US-20080176889-A1 9-anilinoacridine alkylating agents ACADEMIA SINICA (TW) 2008-07-24 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 (3 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 19/4885POLB 150/4885
US-20080176889-A1 9-anilinoacridine alkylating agents BCL9, MCL1, BCL9L TOP2A 5/4885TOP2B 7/4885POLB 178/4885
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG TOP2A 6/4885TOP2B 15/4885POLB 65/4885

“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.