SCHEMBL3344589

SCHEMBL3344589

NCc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 2/20 0.52
KMT2A Q03164 2/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SNCA P37840 1/20 0.42
LMNA P02545 2/20 0.42
GPR35 Q9HC97 1/20 0.40

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
SCHEMBL6835952 0.83 POLB (0.52) MAPTMEN1POLBKMT2AMCL1
SCHEMBL19511923 0.79 MAPT (0.62) MAPTMEN1POLBKMT2AMCL1
SCHEMBL596168 0.79 MAPT (0.62) MAPTMEN1POLBKMT2AMCL1
SCHEMBL5952479 0.79 POLB (0.52) MAPTMEN1POLBKMT2AMCL1
SCHEMBL11057069 0.78 MAPT (0.50) MAPTMEN1POLBKMT2AMCL1
SCHEMBL13183890 0.78 MAPT (0.50) MAPTMEN1POLBKMT2AMCL1
SCHEMBL6870230 0.78 TDP1 (0.42) MAPTMEN1POLBKMT2ATDP1
SCHEMBL15158311 0.78 TSHR (0.42) MAPTMEN1KMT2ATDP1ALDH1A1
SCHEMBL6834085 0.78 MAPT (0.50) MAPTMEN1POLBKMT2AMCL1
SCHEMBL3243151 0.77 MAPT (0.60) MAPTMEN1POLBKMT2AMCL1

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-8431747-B2 Process for the preparation of monomers for polybenzimidazole materials E I DU PONT DE NEMOURS AND COMPANY (US) 2013-04-30 US disclosed
US-8188317-B2 Integrated process for the preparation of polybenzimidazole precursors E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-29 US disclosed
US-20100160686-A1 Process for the Preparation of Monomers for Polybenzimidazole Materials E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 US disclosed
US-20100160675-A1 INTEGRATED PROCESS FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2010-06-24 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-20100160675-A1 INTEGRATED PROCESS FOR THE PREPARATION OF POLYBENZIMIDAZOLE PRECURSORS PUF60, TFPI, CUTA MAPT 1858/4885MEN1 3134/4885POLB 103/4885
US-20100160686-A1 Process for the Preparation of Monomers for Polybenzimidazole Materials PBRM1, PUF60, PARG MAPT 518/4885MEN1 3012/4885POLB 30/4885

“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.