SCHEMBL6697965

SCHEMBL6697965

COC(=O)c1cc([N+](=O)[O-])ccc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.48
MAPT P10636 3/20 0.47
KMT2A Q03164 3/20 0.46
HTT P42858 4/20 0.46
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
PKM P14618 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
CTSV O60911 1/20 0.44
CTSL P07711 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PAX8 Q06710 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDGFRB P09619 1/20 0.44
FGFR1 P11362 1/20 0.44

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
SCHEMBL2527342 0.89 ALDH1A1 (0.57) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL16961496 0.88 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL1318195 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL1319188 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL13280233 0.87 ALDH1A1 (0.52) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL12220158 0.85 ALDH1A1 (0.54) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL6339186 0.85 PDGFRB (0.58) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL21847632 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL14076521 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AHTT
SCHEMBL27411401 0.84 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AHTT

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 ALDH1A1 2164/4885LMNA 2149/4885MAPT 4367/4885

“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.