SCHEMBL4558309

SCHEMBL4558309

CN(C(=O)OCc1ccccc1)c1ccc(N(CCO[Si](C)(C)C(C)(C)C)CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
BTN3A1 O00481 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
NOX1 Q9Y5S8 2/20 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
SCHEMBL4558030 0.83 POLB (0.51) ALDH1A1MAPTKDM1AMAOAMEN1
SCHEMBL31447906 0.82 CCR6 (0.48) ALDH1A1MAPTHPGDBTN3A1KMT2A
SCHEMBL1896284 0.79 ALDH1A1 (0.40) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL4556876 0.79 FOLH1 (0.43)
SCHEMBL4654972 0.79 NOX1 (0.45) MAPTCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7270408 0.78 CCR6 (0.47) ALDH1A1MAPTHPGDBTN3A1MEN1
SCHEMBL31474155 0.78 ALDH1A1 (0.39) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL25346091 0.78 CCR6 (0.42) ALDH1A1MAPTHPGDCHRNB2CHRNB4
SCHEMBL3342299 0.78 MEN1 (0.39) EGFRERBB2MEN1KMT2ASMN1; SMN2
SCHEMBL7135707 0.77 ALDH1A1 (0.40) ALDH1A1MAPTHPGDBTN3A1KMT2A

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
EP-1534670-B1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER REC TECH LTD (GB) 2009-12-02 EP disclosed
US-7235585-B2 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-26 US disclosed
US-20060069154-A1 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2006-03-30 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-20060069154-A1 Enzyme activated self-immolative n-substituted nitrogen mustard prodrugs CNDP2, PNP, APRT ALDH1A1 1411/4885MAPT 4275/4885HPGD 1171/4885

“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.