SCHEMBL15097446

SCHEMBL15097446

CCN(CCCl)c1ccc(NC(=O)Nc2ccc(C)c(Nc3c4cccc(C)c4nc4c(C(=O)NCCN(C)C)cccc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.41
BCR P11274 3/20 0.41
RAD52 P43351 6/20 0.40
AOX1 Q06278 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
MOK Q9UQ07 1/20 0.38
KDM1A O60341 1/20 0.37
KDR P35968 1/20 0.37
UHRF1 Q96T88 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMARCA2 P51531 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RPS6KB1 P23443 1/20 0.36
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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 0.96 ABL1 (0.43) ABL1BCRRAD52AOX1MOK
SCHEMBL4913169 0.88 RAD52 (0.41) ABL1RAD52AOX1MOKKDM1A
SCHEMBL4914057 0.88 ABL1 (0.45) ABL1BCRMEN1KMT2ANPC1
SCHEMBL15097291 0.87 RAD52 (0.44) RAD52AOX1MOKKDM1AKDR
SCHEMBL4908949 0.84 ABL1 (0.45) ABL1BCRMEN1KMT2ANPC1
SCHEMBL6798084 0.84 MAPK14 (0.45) RAD52AOX1MOKUHRF1MAPK14
SCHEMBL4906249 0.83 RAD52 (0.41) ABL1RAD52AOX1MOKKDM1A
SCHEMBL4912287 0.82 ABL1 (0.41) ABL1BCRMEN1KMT2ANPC1
SCHEMBL4911169 0.81 RAD52 (0.43) ABL1RAD52UHRF1SMARCA2ALDH1A1
SCHEMBL4911090 0.81 RAD52 (0.43) RAD52AOX1UHRF1SMARCA2MAPT

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-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

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 ABL1 414/4885BCR 704/4885RAD52 175/4885

“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.