SCHEMBL14294847

SCHEMBL14294847

CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.69
LMNA P02545 1/20 0.69
MAPK1 P28482 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
POLB P06746 4/20 0.67
HCAR3 P49019 3/20 0.67
PKM P14618 2/20 0.67
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 2/20 0.62
KAT2B Q92831 3/20 0.56
RIPK1 Q13546 3/20 0.55
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CCNT1 O60563 1/20 0.52
CDK9 P50750 1/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL29306545 0.95 HCAR3 (0.67) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL16152114 0.94 HCAR3 (0.66) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL20968369 0.94 HCAR3 (0.66) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL10428098 0.94 HCAR3 (0.66) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL14063303 0.91 HCAR3 (0.65) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL8147273 0.91 MAPT (0.65) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL18469649 0.88 MAPT (0.58) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL18474151 0.88 MAPT (0.61) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL8107611 0.87 MAPT (0.60) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL18484959 0.86 MAPT (0.59) MAPTLMNAMAPK1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-05-02 US disclosed
US-10179175-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2019-01-15 US disclosed
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE 2018-04-26 US disclosed
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-9867883-B2 Isatoic anhydride derivatives and applications thereof THE UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE (US) 2018-01-16 US disclosed
US-20170044290-A1 STABLE AND ION-CONDUCTIVE FLUOROPOLYMER-BASED ELECTROLYTES MIDWEST ENERGY GROUP INC. (US) 2017-02-16 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
US-20160206748-A1 METHOD FOR CONJUGATING MOLECULES ORGANOLINX CORP. (CA) 2016-07-21 US disclosed
US-20080032917-A1 FLAVIVIRUS PROTEASE SUBSTRATES AND INHIBITORS IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2008-02-07 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 (5 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-10179175-B2 Isatoic anhydride derivatives and applications thereof AASDHPPT, CA13, CA12 MAPT 4720/4885LMNA 1646/4885MAPK1 3924/4885
US-20190125882-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 MAPT 4720/4885LMNA 1646/4885MAPK1 3924/4885
US-20180110862-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 MAPT 4720/4885LMNA 1646/4885MAPK1 3924/4885
US-20170035893-A1 ISATOIC ANHYDRIDE DERIVATIVES AND APPLICATIONS THEREOF AASDHPPT, CA13, CA12 MAPT 4720/4885LMNA 1646/4885MAPK1 3924/4885
US-20160206748-A1 METHOD FOR CONJUGATING MOLECULES AADAC, DDT, ALDH3A1 MAPT 2425/4885LMNA 3906/4885MAPK1 4801/4885

“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.