SCHEMBL18469649

SCHEMBL18469649

CCCC[N+](C)(C)CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KDM4E B2RXH2 1/20 0.58
LMNA P02545 1/20 0.57
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
POLB P06746 3/20 0.54
HCAR3 P49019 3/20 0.54
PKM P14618 2/20 0.54
ALDH1A1 P00352 1/20 0.54
KAT2B Q92831 4/20 0.48
RIPK1 Q13546 2/20 0.46
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
PRSS1 P07477 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
SCHEMBL14294847 0.88 MAPT (0.69) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL29306545 0.87 HCAR3 (0.67) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL20968369 0.85 HCAR3 (0.66) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL10428098 0.85 HCAR3 (0.66) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL16152114 0.85 HCAR3 (0.66) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL14063303 0.82 HCAR3 (0.65) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL8147273 0.82 MAPT (0.65) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL18474151 0.80 MAPT (0.61) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL5981763 0.79 HCAR3 (0.63) MAPTKDM4ELMNAMAPK1SMN1; SMN2
SCHEMBL30169708 0.79 HCAR3 (0.63) MAPTKDM4ELMNAMAPK1SMN1; SMN2

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-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
US-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 US disclosed
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2017-02-09 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 (2 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-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 MAPT 4720/4885KDM4E 2544/4885LMNA 1646/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 MAPT 4720/4885KDM4E 2544/4885LMNA 1646/4885

“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.