SCHEMBL4906249

SCHEMBL4906249

Cc1ccc(Nc2c3cccc(C)c3nc3c(C(=O)NCCN(C)C)cccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 6/20 0.41
KDM1A O60341 2/20 0.38
AOX1 Q06278 1/20 0.37
UHRF1 Q96T88 1/20 0.37
ABL1 P00519 1/20 0.37
SMARCA2 P51531 1/20 0.37
MOK Q9UQ07 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTK2 Q05397 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
SRC P12931 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4913169 0.94 RAD52 (0.41) RAD52KDM1AAOX1UHRF1ABL1
SCHEMBL4911007 0.93 RAD52 (0.43) RAD52KDM1AAOX1UHRF1ABL1
SCHEMBL4910606 0.93 RAD52 (0.43) RAD52AOX1UHRF1SMARCA2KDM4E
SCHEMBL4909597 0.93 RAD52 (0.44) RAD52KDM1AAOX1UHRF1ABL1
SCHEMBL4907520 0.91 ABL1 (0.39) KDM1AABL1KDM4EEGFRERBB2
SCHEMBL4911335 0.90 RAD52 (0.42) RAD52KDM1AAOX1UHRF1SMARCA2
SCHEMBL4911090 0.89 RAD52 (0.43) RAD52AOX1UHRF1SMARCA2PTK2
SCHEMBL4903077 0.89 RAD52 (0.47) RAD52AOX1UHRF1SMARCA2MOK
SCHEMBL4911394 0.89 RAD52 (0.46) RAD52KDM1AAOX1UHRF1SMARCA2
SCHEMBL4913012 0.88 TOP2A (0.41) RAD52KDM1AAOX1UHRF1SMARCA2

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 RAD52 717/4885KDM1A 722/4885AOX1 801/4885

“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.