SCHEMBL4558846

SCHEMBL4558846

CC(O[Si](C)(C)C(C)(C)C)N(c1ccc(N)cc1)C(C)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MAPK1 P28482 3/20 0.35
CYP3A4 P08684 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
ALOX15 P16050 1/20 0.35
PSMD14 O00487 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
GFER P55789 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
APLNR P35414 2/20 0.32
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL2172603 0.76 MAOA (0.30)
SCHEMBL2172591 0.76 MAOA (0.30)
SCHEMBL26125646 0.74 NPC1 (0.33) ALDH1A1MAPK1TDP1TP53L3MBTL1
SCHEMBL26125642 0.74 NPC1 (0.33) ALDH1A1MAPK1TDP1TP53L3MBTL1
SCHEMBL924268 0.67 TDP1 (0.52) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL4465723 0.66 ALDH1A1 (0.43) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL2337690 0.66 APLNR (0.31) APLNR
SCHEMBL8695498 0.65 CA2 (0.50) ALDH1A1CYP3A4TSHRNPC1MAPT
SCHEMBL1166684 0.65 PREP (0.46) ALDH1A1MAPK1CYP3A4TDP1TP53
SCHEMBL19417938 0.65 ALDH1A1 (0.34) ALDH1A1MAPK1CYP3A4TDP1TP53

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 5 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
EP-1534670-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS Cancer Research Technology Limited (GB) 2005-06-01 EP disclosed
WO-2004020400-A1 ENZYME ACTIVATED SELF-IMMOLATIVE N-SUBSTITUTED NITROGEN MUSTARD PRODRUGS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2004-03-11 WO 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 1411/4885MAPK1 4242/4885CYP3A4 753/4885

“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.