SCHEMBL6697964

SCHEMBL6697964

O=[N+]([O-])c1ccc(C2CCNP(=O)(N(CCCl)CCCl)N2)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRYZ Q08257 2/20 0.65
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 3/20 0.34
GUSB P08236 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
SLC18A3 Q16572 1/20 0.32
RECQL P46063 1/20 0.32
SLC6A3 Q01959 1/20 0.31
GRIA4 P48058 1/20 0.31

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
SCHEMBL6693404 0.79 CRYZ (1.00) CRYZALDH1A1POLBLMNAGAA
SCHEMBL6692264 0.77 CRYZ (0.60) CRYZALDH1A1POLBLMNAGAA
SCHEMBL6695627 0.68 CRYZ (0.61) CRYZALDH1A1POLBLMNAGAA
SCHEMBL20401809 0.68 LMNA (0.53) CRYZALDH1A1POLBLMNAGAA
SCHEMBL6693338 0.67 CRYZ (0.64) CRYZMAPT
SCHEMBL25230818 0.66 LMNA (0.44) CRYZALDH1A1POLBLMNAGAA
SCHEMBL29116544 0.66 LMNA (0.44) CRYZALDH1A1POLBLMNAGAA
SCHEMBL2756371 0.65 LMNA (0.47) CRYZALDH1A1POLBLMNAGAA
SCHEMBL11631660 0.65 SLC6A3 (0.47) CRYZALDH1A1POLBLMNAGAA
SCHEMBL173742 0.64 ALDH1A1 (0.47) CRYZALDH1A1POLBLMNAGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation HU, LONGQIN 2004-10-28 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-20040214798-A1 Nitroaryl phosphoramide compositions and methods for targeting and inhibiting undesirable cell growth or proliferation MKI67, NME2, NTPCR CRYZ 1190/4885ALDH1A1 2164/4885POLB 1247/4885

“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.