SCHEMBL4909276

SCHEMBL4909276

COc1cccc2c(NC(=O)Oc3ccc(N(CCCl)CCCl)cc3)c3ccccc3nc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.48
TOP2A P11388 3/20 0.44
TOP2B Q02880 3/20 0.44
KDM4E B2RXH2 4/20 0.41
POLB P06746 3/20 0.41
GLA P06280 1/20 0.41
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
PARP1 P09874 2/20 0.41
ALDH1A1 P00352 5/20 0.39
GAA P10253 3/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 5/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KIT P10721 1/20 0.38
PDGFRA P16234 1/20 0.38
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37

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
SCHEMBL4910088 0.89 KDM1A (0.51) KDM1ATOP2ATOP2BPOLBPARP1
SCHEMBL4906443 0.89 KDM1A (0.45) KDM1AKDM4EPOLBGLAEGFR
SCHEMBL4910913 0.88 KDM1A (0.51) KDM1ATOP2ATOP2BPOLBPARP1
SCHEMBL4912187 0.88 KDM1A (0.49) KDM1ATOP2ATOP2BPOLBPARP1
SCHEMBL4908994 0.87 KDM1A (0.55) KDM1AKDM4EEGFRERBB2PARP1
SCHEMBL4912156 0.86 PIM1 (0.39) KDM1ATOP2ATOP2BEGFRERBB2
SCHEMBL4912328 0.86 KDM1A (0.48) KDM1ATOP2ATOP2BPOLBPARP1
SCHEMBL4913240 0.86 KDM1A (0.50) KDM1ATOP2ATOP2BKDM4EPOLB
SCHEMBL4912617 0.86 KDM1A (0.48) KDM1ATOP2ATOP2BKDM4EPOLB
SCHEMBL4910224 0.86 EGFR (0.42) KDM1ATOP2ATOP2BKDM4EPOLB

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 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.