SCHEMBL4558030

SCHEMBL4558030

CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ROCK2 O75116 1/20 0.47
TP53 P04637 2/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM1A O60341 2/20 0.45
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
RCOR1 Q9UKL0 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.44
TGM2 P21980 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42

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
SCHEMBL4558309 0.83 ALDH1A1 (0.41) MAPTSMN1; SMN2RAB9AKDM1AMAOA
SCHEMBL7639905 0.82 PSMB8 (0.46) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16376509 0.79 MAOB (0.38) TP53MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL4654972 0.78 NOX1 (0.45) MAPTSMN1; SMN2NPC1RAB9AMAOA
SCHEMBL30363610 0.77 POLB (0.52) POLBROCK2TP53MAPTSMN1; SMN2
SCHEMBL26129284 0.77 NPC1 (0.56) TP53SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8975219 0.77 NOX1 (0.66) POLBROCK2TP53MAPTSMN1; SMN2
SCHEMBL11982932 0.77 PTGDR2 (0.41) POLBROCK2TP53MAPTSMN1; SMN2
SCHEMBL3342299 0.77 MEN1 (0.39) SMN1; SMN2TSHRMEN1KMT2A
SCHEMBL3427156 0.77 SMN1; SMN2 (0.63) MAPTSMN1; SMN2ATMMEN1KMT2A

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 POLB 1440/4885ROCK2 3407/4885TP53 1814/4885

“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.