SCHEMBL4464533

SCHEMBL4464533

CN(C(=O)OCc1ccc(NC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1)c1ccc(N(CCCl)CCCl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.49
LMNA P02545 2/20 0.46
CCKBR P32239 2/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.41
GMNN O75496 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
GABRA1 P14867 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
PMP22 Q01453 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL14497677 1.00 FOLH1 (0.49) FOLH1LMNACCKBRNAALAD2GMNN
SCHEMBL14497773 0.97 FOLH1 (0.46) FOLH1LMNACCKBRNAALAD2GMNN
SCHEMBL4556926 0.92 FOLH1 (0.50) FOLH1CCKBRNAALAD2
SCHEMBL4465270 0.91 FOLH1 (0.49) FOLH1CCKBRNAALAD2
SCHEMBL4473167 0.91 FOLH1 (0.49) FOLH1CCKBRNAALAD2
SCHEMBL14497681 0.91 FOLH1 (0.49) FOLH1CCKBRNAALAD2
SCHEMBL13610863 0.91 FOLH1 (0.49) FOLH1CCKBRNAALAD2
SCHEMBL14497684 0.89 FOLH1 (0.47) FOLH1CCKBRNAALAD2
SCHEMBL13610257 0.88 FOLH1 (0.52) FOLH1CCKBRNAALAD2
SCHEMBL14497770 0.88 FOLH1 (0.46) FOLH1CCKBRNAALAD2MAPT

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 FOLH1 267/4885LMNA 3104/4885CCKBR 2479/4885

“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.