SCHEMBL4905057

SCHEMBL4905057

CNC(=O)c1cccc2c(Nc3cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)ccc3OC)c3cccc(C)c3nc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ABL1 P00519 1/20 0.36
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
BAD Q92934 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PTK2 Q05397 2/20 0.35
TOP1 P11387 1/20 0.35
PTGS2 P35354 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR4 P22455 1/20 0.35
FGFR3 P22607 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
SCHEMBL4907334 0.94 MAPT (0.37) MAPTPOLBKDM4ETP53SMN1; SMN2
SCHEMBL4913162 0.94 PIM1 (0.38) MAPTPOLBTP53SMN1; SMN2PIM1
SCHEMBL4914095 0.93 ABL1 (0.42) MAPTKDM4ETP53ABL1PIM1
SCHEMBL4909247 0.92 ABL1 (0.38) MAPTPOLBKDM4ETP53SMN1; SMN2
SCHEMBL4910335 0.91 ABL1 (0.40) MAPTPOLBKDM4ETP53SMN1; SMN2
SCHEMBL4911090 0.91 RAD52 (0.43) MAPTPTK2
SCHEMBL4912639 0.88 KDM1A (0.38) MAPTPOLBTP53SMN1; SMN2PIM1
SCHEMBL4907520 0.88 ABL1 (0.39) MAPTKDM4ETP53ABL1PIM1
SCHEMBL4909340 0.88 MTNR1A (0.36) MAPTPOLBKDM4ETP53SMN1; SMN2
SCHEMBL4912997 0.87 RUVBL1 (0.39) MAPTPOLBTP53SMN1; SMN2ABL1

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 MAPT 3066/4885POLB 150/4885KDM4E 873/4885

“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.