SCHEMBL4465723

SCHEMBL4465723

CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PSMD14 O00487 1/20 0.43
TSHR P16473 1/20 0.43
RECQL P46063 1/20 0.43
GFER P55789 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.34
ALOX15 P16050 1/20 0.34
DUT P33316 2/20 0.34
DGAT1 O75907 2/20 0.31
NCF1 P14598 1/20 0.31
PHLPP2 Q6ZVD8 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
SCHEMBL19417938 0.86 ALDH1A1 (0.34) ALDH1A1CYP3A4MAPK1TDP1PSMD14
SCHEMBL4652904 0.84 BACE1 (0.36) ALDH1A1CYP3A4MAPK1TSHRDUT
SCHEMBL7717528 0.84 DUT (0.37) ALDH1A1DUTDGAT1
SCHEMBL13302934 0.84 DUT (0.34) DUTDGAT1
SCHEMBL3342299 0.83 MEN1 (0.39) CYP3A4TSHRDUTDGAT1NCF1
SCHEMBL6933156 0.83 DUT (0.33) DUTDGAT1
SCHEMBL1234774 0.80 ALDH1A1 (0.49) ALDH1A1GFERL3MBTL1DUTDGAT1
SCHEMBL13302932 0.80 DUT (0.32) DUTDGAT1
SCHEMBL98656 0.80 ALDH1A1 (0.34) ALDH1A1DUT
SCHEMBL120442 0.78 PPARG (0.41) ALDH1A1CYP3A4MAPK1TDP1TSHR

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 1411/4885CYP3A4 753/4885MAPK1 4242/4885

“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.