SCHEMBL4902855

SCHEMBL4902855

COc1cccc2c(Nc3cc(CO)cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(C(=O)NCCN(C)C)c3nc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 6/20 0.43
SMARCA2 P51531 1/20 0.43
UHRF1 Q96T88 1/20 0.42
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
PTK2 Q05397 1/20 0.37
AOX1 Q06278 1/20 0.36
KDM1A O60341 1/20 0.35
AXL P30530 1/20 0.35
MAPT P10636 3/20 0.34
MCHR1 Q99705 3/20 0.34
MOK Q9UQ07 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4912215 0.95 RAD52 (0.46) RAD52SMARCA2UHRF1PTK2AOX1
SCHEMBL4912292 0.93 RAD52 (0.44) RAD52SMARCA2UHRF1PTK2AOX1
SCHEMBL4913012 0.93 TOP2A (0.41) RAD52SMARCA2UHRF1TOP2ATOP2B
SCHEMBL4910521 0.91 TOP2A (0.37) TOP2ATOP2BKDM1A
SCHEMBL4905091 0.91 TOP2A (0.49) RAD52SMARCA2UHRF1TOP2ATOP2B
SCHEMBL4911394 0.89 RAD52 (0.46) RAD52SMARCA2UHRF1PTK2AOX1
SCHEMBL4910435 0.88 RAD52 (0.51) RAD52SMARCA2UHRF1PTK2AOX1
SCHEMBL4902992 0.88 RAD52 (0.46) RAD52SMARCA2UHRF1PTK2AOX1
SCHEMBL4911257 0.88 RAD52 (0.46) RAD52SMARCA2UHRF1PTK2AOX1
SCHEMBL4909918 0.87 RAD52 (0.47) RAD52SMARCA2UHRF1TOP2ATOP2B

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 717/4885SMARCA2 3129/4885UHRF1 1432/4885

“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.