SCHEMBL3763333

SCHEMBL3763333

O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.74
TDP1 Q9NUW8 2/20 0.74
KMT2A Q03164 11/20 0.71
ALDH1A1 P00352 10/20 0.71
KDM4E B2RXH2 9/20 0.71
NPSR1 Q6W5P4 7/20 0.71
MAPK1 P28482 5/20 0.71
HTT P42858 3/20 0.71
MEN1 O00255 9/20 0.67
PKM P14618 5/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
POLB P06746 4/20 0.67
LMNA P02545 3/20 0.67
NTSR1 P30989 1/20 0.67
RECQL P46063 5/20 0.66
BLM P54132 1/20 0.66
MCL1 Q07820 1/20 0.66
MITF O75030 2/20 0.57
GFER P55789 1/20 0.57
THRB P10828 2/20 0.56

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
SCHEMBL3763335 1.00 MAPT (0.74) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL3766205 0.84 MAPT (0.71) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL3766201 0.84 MAPT (0.71) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL14432335 0.84 MAPT (0.71) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL13164871 0.81 MEN1 (1.00) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL13165183 0.81 MAPT (0.70) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL14713042 0.80 XDH (0.69) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL13164872 0.73 KMT2A (0.82) MAPTTDP1KMT2AALDH1A1KDM4E
SCHEMBL12218050 0.73 MEN1 (0.82) MAPTKMT2AALDH1A1KDM4ENPSR1
SCHEMBL12218157 0.73 MEN1 (0.82) MAPTKMT2AALDH1A1KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE BURHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-12-02 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 US disclosed
US-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE UNITED STATES GOVERNMENT 2007-08-30 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-20070203236-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MAPT 4500/4885TDP1 2320/4885KMT2A 3767/4885
US-20100305121-A1 NOVEL ANTAGONISTS OF THE HUMAN FATTY ACID SYNTHASE THIOESTERASE FADS2, ACOT7, FADS1 MAPT 4500/4885TDP1 2320/4885KMT2A 3767/4885

“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.