SCHEMBL4612017

SCHEMBL4612017

O=C1Nc2c([N+](=O)[O-])ccc3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.45
KMT2A Q03164 6/20 0.42
MEN1 O00255 5/20 0.42
S100A4 P26447 2/20 0.41
POLB P06746 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ATM Q13315 1/20 0.41
TYMS P04818 1/20 0.41
NPSR1 Q6W5P4 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL1049963 0.83 PARP1 (0.56) PARP1SMN1; SMN2KMT2AMEN1S100A4
SCHEMBL767178 0.74 MEN1 (0.63) PARP1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL505409 0.73 S100A4 (0.55) SMN1; SMN2KMT2AMEN1S100A4POLB
SCHEMBL9290363 0.73 BCHE (0.51) SMN1; SMN2KMT2AMEN1POLBNPC1
SCHEMBL9079985 0.72 MEN1 (0.52) SMN1; SMN2KMT2AMEN1POLBNPSR1
Pyrene SCHEMBL28900225 0.72 PARP1 (0.91) PARP1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL57038 0.71 PARP1 (1.00) PARP1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL2487811 0.71 PARP1 (1.00) PARP1SMN1; SMN2KMT2AMEN1POLB
SCHEMBL14257644 0.71 S100A4 (0.61) SMN1; SMN2KMT2AMEN1S100A4POLB
SCHEMBL17529463 0.71 NPSR1 (0.49) PARP1SMN1; SMN2KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227621-B2 Cyanine dyes and methods of use LI-COR, INC. (US) 2012-07-24 US disclosed
EP-1910554-A2 CYANINE DYES AND METHODS OF USE IN BIOLOGICAL APPLICATIONS LI-COR, INC. (US) 2008-04-16 EP disclosed
US-20070042398-A1 CYANINE DYES AND METHODS OF USE LI-COR, INC. (US) 2007-02-22 US disclosed
WO-2007005222-A2 CYANINE DYES AND METHODS OF USE IN BIOLOGICAL APPLICATIONS LI-COR, INC. (US) 2007-01-11 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-20070042398-A1 CYANINE DYES AND METHODS OF USE CRY2, IK, CRY1 PARP1 977/4885SMN1; SMN2 4748/4885KMT2A 3439/4885

“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.