SCHEMBL4909247

SCHEMBL4909247

CNC(=O)c1cccc2c(Nc3cc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)ccc3OC)c3cccc(C)c3nc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
MAPT P10636 2/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
BAD Q92934 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
TOP1 P11387 1/20 0.37
PTGS2 P35354 1/20 0.37
FGFR1 P11362 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
PTK2 Q05397 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
PYGL P06737 1/20 0.37

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
SCHEMBL4912997 0.95 RUVBL1 (0.39) ABL1MAPTPIM1FLT3BAD
SCHEMBL4912172 0.94 PIM1 (0.40) MAPTPIM1FLT3BADPIM2
SCHEMBL4909694 0.92 IDO1 (0.40) ABL1MAPTKDM4ETP53POLB
SCHEMBL4905057 0.92 MAPT (0.37) ABL1MAPTPIM1FLT3BAD
SCHEMBL4914057 0.91 ABL1 (0.45) ABL1MAPTPIM1PIM2KDM4E
SCHEMBL4912138 0.91 ABL1 (0.43) ABL1PIM1FLT3BADPIM2
SCHEMBL4905071 0.88 KDM1A (0.40) MAPTPIM1FLT3BADPIM2
SCHEMBL4911115 0.88 KDR (0.41) MAPTPIM1FLT3BADPIM2
SCHEMBL4907334 0.88 MAPT (0.37) ABL1MAPTPIM1FLT3BAD
SCHEMBL4912287 0.87 ABL1 (0.41) ABL1MAPTPIM1PIM2KDM4E

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 679/4885MAPT 3066/4885PIM1 1698/4885

“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.