SCHEMBL6469941

SCHEMBL6469941

O=C(O)C1=C([N+](=O)[O-])C=CCC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CASP6 P55212 1/20 0.31
SRD5A2 P31213 1/20 0.31
TP53 P04637 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
SCHEMBL16622959 0.71
SCHEMBL12281360 0.71 ACHE (0.31) TDP1ALDH1A1
SCHEMBL13418989 0.71
SCHEMBL934175 0.70 PYGM (0.32) ALDH1A1
SCHEMBL7184654 0.70 PYGM (0.32) ALDH1A1
SCHEMBL1335931 0.68 PYGM (0.31)
SCHEMBL13270367 0.68 PYGM (0.35) ALDH1A1
SCHEMBL16622960 0.66 MAPT (0.35) TDP1POLBPKMALDH1A1
SCHEMBL24003784 0.66 TDP1 (0.32) TDP1ALDH1A1CASP6SRD5A2
SCHEMBL14218092 0.64 POLB (0.34) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB TDP1 304/4885POLB 3/4885PKM 3237/4885

“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.