SCHEMBL4906443

SCHEMBL4906443

Cc1cccc2c(NC(=O)Oc3ccc(N(CCCl)CCCl)cc3)c3ccccc3nc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.45
KDM4E B2RXH2 3/20 0.45
POLB P06746 3/20 0.45
GLA P06280 1/20 0.45
EGFR P00533 2/20 0.42
ERBB2 P04626 2/20 0.42
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
THRB P10828 1/20 0.38
GFER P55789 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PARP1 P09874 2/20 0.38
GAA P10253 3/20 0.37
HTT P42858 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4915705 0.89 KDM1A (0.48) KDM1AKDM4EPOLBEGFRERBB2
SCHEMBL4909276 0.89 KDM1A (0.48) KDM1AKDM4EPOLBGLAEGFR
SCHEMBL4910224 0.88 EGFR (0.42) KDM1AKDM4EPOLBGLAEGFR
SCHEMBL4902395 0.87 KDM1A (0.46) KDM1AKDM4EPOLBMAPTKMT2A
SCHEMBL4906258 0.87 KDM1A (0.48) KDM1AKDM4EPOLBEGFRERBB2
SCHEMBL4904325 0.87 KDM1A (0.46) KDM1AKDM4EPOLBEGFRERBB2
SCHEMBL4901467 0.87 TOP2A (0.49) KDM1AKDM4EMEN1MAPTKMT2A
SCHEMBL4910143 0.86 EGFR (0.40) KDM1AKDM4EPOLBGLAEGFR
SCHEMBL4907647 0.85 KDM1A (0.53) KDM1AEGFRERBB2MEN1KMT2A
SCHEMBL4909549 0.85 KDM1A (0.46) KDM1AKDM4EPOLBMEN1MAPT

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 722/4885KDM4E 873/4885POLB 150/4885

“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.