SCHEMBL15097291

SCHEMBL15097291

Cc1cccc2c(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.44
KDR P35968 1/20 0.44
AOX1 Q06278 1/20 0.43
SMARCA2 P51531 1/20 0.42
MOK Q9UQ07 1/20 0.41
UHRF1 Q96T88 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NAMPT P43490 1/20 0.39
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
POLR1A O95602 2/20 0.37
CYP1A2 P05177 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM1A O60341 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SRC P12931 1/20 0.37
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 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
SCHEMBL10454642 0.90 ABL1 (0.43) RAD52KDRAOX1SMARCA2MOK
SCHEMBL4910353 0.88 EGFR (0.42) KDRKDM4EALDH1A1EGFRERBB2
SCHEMBL4903077 0.87 RAD52 (0.47) RAD52AOX1SMARCA2MOKUHRF1
SCHEMBL15097446 0.87 ABL1 (0.41) RAD52KDRAOX1SMARCA2MOK
SCHEMBL4909655 0.86 EGFR (0.41) KDRKDM4EALDH1A1EGFRERBB2
SCHEMBL4913169 0.82 RAD52 (0.41) RAD52AOX1SMARCA2MOKUHRF1
SCHEMBL4906249 0.82 RAD52 (0.41) RAD52AOX1SMARCA2MOKUHRF1
SCHEMBL4906231 0.82 RAD52 (0.40) RAD52AOX1SMARCA2MOKUHRF1
SCHEMBL4907647 0.81 KDM1A (0.53) KDREGFRERBB2KDM1A
SCHEMBL4911335 0.81 RAD52 (0.42) RAD52AOX1SMARCA2MOKUHRF1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-9193687-B2 Phenyl N-mustard linked to DNA-affinic molecules or water-soluble aryl rings, method and their use as cancer therapeutic agents ACADEMIA SINICA (TW) 2015-11-24 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 US disclosed
US-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS ACADEMIA SINICA (TW) 2013-07-11 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-20130178494-A1 PHENYL N-MUSTARD LINKED TO DNA-AFFINIC MOLECULES OR WATER-SOLUBLE ARYL RINGS, METHOD AND THEIR USE AS CANCER THERAPEUTIC AGENTS PCNA, WEE1, UNG RAD52 175/4885KDR 899/4885AOX1 1831/4885

“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.