SCHEMBL4907334

SCHEMBL4907334

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
POLB P06746 4/20 0.37
TP53 P04637 2/20 0.36
GAA P10253 2/20 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
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.35
EGFR P00533 1/20 0.35
ERBB2 P04626 1/20 0.35
KDM1A O60341 1/20 0.35
PPARG P37231 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 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
SCHEMBL4905057 0.94 MAPT (0.37) MAPTPOLBTP53PIM1FLT3
SCHEMBL4912639 0.94 KDM1A (0.38) MAPTPOLBTP53GAAPIM1
SCHEMBL4907520 0.93 ABL1 (0.39) MAPTTP53PIM1PIM2MEN1
SCHEMBL4912997 0.91 RUVBL1 (0.39) MAPTPOLBTP53GAAPIM1
SCHEMBL4910606 0.91 RAD52 (0.43) MAPTPOLBKDM4EALDH1A1
SCHEMBL4909549 0.89 KDM1A (0.46) MAPTPOLBTP53GAAMEN1
SCHEMBL4913162 0.88 PIM1 (0.38) MAPTPOLBTP53PIM1FLT3
SCHEMBL4909340 0.88 MTNR1A (0.36) MAPTPOLBTP53GAAPIM1
SCHEMBL4914095 0.88 ABL1 (0.42) MAPTTP53PIM1PIM2MEN1
SCHEMBL4909247 0.88 ABL1 (0.38) MAPTPOLBTP53PIM1FLT3

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 150/4885TP53 6/4885

“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.