SCHEMBL4903077

SCHEMBL4903077

Cc1cccc2c(NC(=O)Oc3ccc(N(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.47
SMARCA2 P51531 1/20 0.42
AOX1 Q06278 1/20 0.41
UHRF1 Q96T88 2/20 0.41
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MOK Q9UQ07 1/20 0.36
POLR1A O95602 3/20 0.36
CYP1A2 P05177 1/20 0.36
KCNH2 Q12809 1/20 0.36
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ECE1 P42892 1/20 0.35
MUS81 Q96NY9 1/20 0.35
MAOB P27338 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
SCHEMBL4910435 0.90 RAD52 (0.51) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL4911335 0.90 RAD52 (0.42) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL4906249 0.89 RAD52 (0.41) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL4911394 0.89 RAD52 (0.46) RAD52SMARCA2AOX1UHRF1KDM4E
SCHEMBL4913169 0.89 RAD52 (0.41) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL4910143 0.89 EGFR (0.40) RAD52EGFRERBB2KDM4EALDH1A1
SCHEMBL4913012 0.88 TOP2A (0.41) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL4913023 0.88 RAD52 (0.40) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL15097291 0.87 RAD52 (0.44) RAD52SMARCA2AOX1UHRF1EGFR
SCHEMBL4910606 0.86 RAD52 (0.43) RAD52SMARCA2AOX1UHRF1KDM4E

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 RAD52 717/4885SMARCA2 3129/4885AOX1 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.