SCHEMBL4912853

SCHEMBL4912853

CNC(=O)c1cccc2c(Nc3cc(CO)cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)c3)c3cccc(OC)c3nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.39
TOP2A P11388 3/20 0.39
TOP2B Q02880 3/20 0.39
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
BAD Q92934 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDR P35968 1/20 0.36
SRC P12931 1/20 0.36
SYK P43405 1/20 0.36
GSK3A P49840 1/20 0.36
MAPK14 Q16539 1/20 0.36
PARP1 P09874 2/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
HPSE Q9Y251 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL4911417 0.93 KDR (0.41) KDM1APIM1FLT3BADPIM2
SCHEMBL4913140 0.92 KDM1A (0.42) KDM1ATOP2ATOP2BPARP1HPSE
SCHEMBL4912713 0.92 KDM1A (0.40) KDM1APIM1FLT3BADPIM2
SCHEMBL4910521 0.91 TOP2A (0.37) KDM1ATOP2ATOP2BPIM1FLT3
SCHEMBL4912374 0.91 TOP2A (0.41) KDM1ATOP2ATOP2BPIM1PIM2
SCHEMBL4910017 0.88 TOP2A (0.49) KDM1ATOP2ATOP2BKDR
SCHEMBL4909598 0.88 KDM1A (0.53) KDM1ATOP2ATOP2BPARP1
SCHEMBL4935599 0.88 EGFR (0.40) KDM1APIM1FLT3BADPIM2
SCHEMBL4905071 0.88 KDM1A (0.40) KDM1APIM1FLT3BADPIM2
SCHEMBL4912172 0.87 PIM1 (0.40) KDM1APIM1FLT3BADPIM2

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 KDM1A 722/4885TOP2A 16/4885TOP2B 19/4885

“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.