SCHEMBL4907520

SCHEMBL4907520

CNC(=O)c1cccc2c(Nc3ccc(C)c(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(C)c3nc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.39
KDM1A O60341 2/20 0.38
EGFR P00533 2/20 0.36
ERBB2 P04626 2/20 0.36
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
PARP1 P09874 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
MAPK14 Q16539 3/20 0.32
MET P08581 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL4914095 0.94 ABL1 (0.42) ABL1KDM1AEGFRERBB2PIM1
SCHEMBL4907334 0.93 MAPT (0.37) ABL1KDM1AEGFRERBB2PIM1
SCHEMBL4913235 0.93 KDM1A (0.40) ABL1KDM1AEGFRERBB2MAPT
SCHEMBL4906249 0.91 RAD52 (0.41) ABL1KDM1AEGFRERBB2MAPT
SCHEMBL4912287 0.90 ABL1 (0.41) ABL1KDM1AEGFRERBB2PIM1
SCHEMBL4909678 0.89 KDM1A (0.35) ABL1KDM1AEGFRERBB2PIM1
SCHEMBL4906258 0.88 KDM1A (0.48) ABL1KDM1AEGFRERBB2MAPT
SCHEMBL4905057 0.88 MAPT (0.37) ABL1PIM1PIM2MAPTTP53
SCHEMBL4910143 0.88 EGFR (0.40) ABL1KDM1AEGFRERBB2PIM1
SCHEMBL4909340 0.88 MTNR1A (0.36) KDM1AEGFRERBB2PIM1PIM2

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 ABL1 679/4885KDM1A 722/4885EGFR 896/4885

“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.