SCHEMBL4905149

SCHEMBL4905149

CCCCOC(=O)Nc1cc(COC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.49
TOP2B Q02880 6/20 0.49
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
KDM1A O60341 2/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
MCL1 Q07820 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
POLB P06746 3/20 0.39
RAD52 P43351 2/20 0.39
KMT2A Q03164 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39

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
SCHEMBL4912224 0.94 TOP2A (0.51) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4905048 0.93 TOP2A (0.55) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4910481 0.92 TOP2A (0.52) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4901598 0.90 TOP2A (0.50) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4901789 0.90 TOP2A (0.49) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4912597 0.90 TOP2A (0.48) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4904578 0.89 TOP2A (0.64) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4910379 0.89 TOP2A (0.49) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4910432 0.88 TOP2A (0.45) TOP2ATOP2BKDM4ESMN1; SMN2MAPT
SCHEMBL4906475 0.88 TOP2A (0.56) TOP2ATOP2BKDM4ESMN1; SMN2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 TOP2A 16/4885TOP2B 19/4885KDM4E 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.