SCHEMBL13396336

SCHEMBL13396336

O=C(NCCCCO[N+](=O)[O-])C1CCCN1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRCP P42785 3/20 0.59
TLR2 O60603 2/20 0.45
HTR2C P28335 6/20 0.39
HTR2B P41595 3/20 0.38
KDM4E B2RXH2 1/20 0.37
DPP7 Q9UHL4 1/20 0.36
HDAC8 Q9BY41 2/20 0.35
TERT O14746 1/20 0.35
HTR2A P28223 1/20 0.35
CCNK O75909 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34

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
SCHEMBL9348697 0.96 PRCP (0.57) PRCPTLR2HTR2CHTR2BKDM4E
Fumaric Acid SCHEMBL9344920 0.84 PRCP (0.46) PRCPTLR2HTR2CHTR2BKDM4E
SCHEMBL23762256 0.81 PRCP (0.65) PRCPTLR2HTR2CHTR2BKDM4E
SCHEMBL3403308 0.80 CA12 (0.36) PRCPTLR2DPP7
SCHEMBL3305980 0.80 CA12 (0.36) PRCPTLR2DPP7
Hydrochloric Acid SCHEMBL3308857 0.78 CA12 (0.36) PRCPTLR2DPP7
SCHEMBL4433830 0.78 TLR2 (0.36) PRCPTLR2DPP7
Hydrochloric Acid SCHEMBL4430625 0.78 CA12 (0.36) PRCPTLR2DPP7
SCHEMBL14135155 0.78 PRCP (0.62) PRCPTLR2HTR2CHTR2BKDM4E
SCHEMBL9330739 0.77 BCHE (0.38) PRCP

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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NICOX S.A. (FR) 2010-04-22 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-20100099729-A1 NITRIC OXIDE DONOR COMPOUNDS NOS3, NOS2, NOS1 PRCP 3269/4885TLR2 1158/4885HTR2C 1059/4885

“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.