SCHEMBL2138649

SCHEMBL2138649

O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.57
TSHR P16473 1/20 0.57
VCAM1 P19320 1/20 0.53
ALDH1A1 P00352 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
RAB9A P51151 4/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 3/20 0.52
HPGD P15428 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
PDE7A Q13946 4/20 0.47
PDE7B Q9NP56 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
KIF18A Q8NI77 1/20 0.46
PDE4B Q07343 1/20 0.45

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
SCHEMBL13982830 0.91 MAPT (0.53) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL5214993 0.91 RAB9A (0.63) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL6125034 0.90 MAPK1 (0.63) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL359272 0.88 HPGD (0.48) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL2495786 0.88 MAPK1 (0.53) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL2499227 0.86 MAPT (0.48) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL23579106 0.84 S100A4 (0.49) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL28656833 0.84 RAB9A (0.53) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL27820907 0.83 PDE7A (0.44) MAPK1TSHRVCAM1ALDH1A1L3MBTL1
SCHEMBL26191608 0.83 RAB9A (0.59) MAPK1TSHRVCAM1ALDH1A1L3MBTL1

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-20160207774-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2016-07-21 US disclosed
US-20160207774-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2016-07-21 US disclosed
US-20160207774-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2016-07-21 US disclosed
US-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2014-10-09 US disclosed
US-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2014-10-09 US disclosed
US-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2014-10-09 US disclosed
WO-2013061256-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS BASF SE (DE) 2013-05-02 WO disclosed
US-8362275-B2 Dihalogen indolocarbazole monomers and poly(indolocarbazoles) E. I. DU PONT DE NEMOURS AND COMPANY (US) 2013-01-29 US disclosed
US-20120241683-A1 Dihalogen Indolocarbazole Monomers and Poly(Indolocarbazoles) LG CHEM, LTD. (KR) 2012-09-27 US disclosed
US-8217181-B2 Dihalogen indolocarbazole monomers and poly (indolocarbazoles) E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-07-10 US disclosed
US-20110060097-A1 Dihalogen Indolocarbazole Monomers and Poly (Indolocarbazoles) LG CHEM, LTD. (KR) 2011-03-10 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-20140301935-A1 OLIGOPHENYLENE MONOMERS AND POLYMERIC PRECURSORS FOR PRODUCING GRAPHENE NANORIBBONS PCBP1, GMNN, PCNA MAPK1 2184/4885TSHR 4581/4885VCAM1 2279/4885
US-20110060097-A1 Dihalogen Indolocarbazole Monomers and Poly (Indolocarbazoles) PARG, DDT, MDM4 MAPK1 3845/4885TSHR 3969/4885VCAM1 4549/4885

“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.