SCHEMBL16616688

SCHEMBL16616688

O=[C]CCCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
POLB P06746 3/20 0.55
PKM P14618 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.54
PRSS1 P07477 4/20 0.52
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
KAT2B Q92831 4/20 0.48
HCAR3 P49019 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47

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
SCHEMBL8147273 0.85 MAPT (0.65) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL8744502 0.85 MAPT (0.58) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL4557828 0.83 KAT2B (0.64) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL14364287 0.83 MAPT (0.60) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL16152114 0.83 HCAR3 (0.66) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL10428098 0.83 HCAR3 (0.66) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL17923845 0.83 KAT2B (0.64) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL30413993 0.83 KAT2B (0.64) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL20968369 0.83 HCAR3 (0.66) MAPTPOLBPKMKDM4EALDH1A1
SCHEMBL2228171 0.83 KAT2B (0.64) MAPTPOLBPKMKDM4EALDH1A1

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-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 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-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC MAPT 4568/4885POLB 4226/4885PKM 3583/4885

“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.