SCHEMBL3089874

SCHEMBL3089874

[O]C(=O)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
TSHR P16473 1/20 0.57
MAPT P10636 4/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
ALDH1A1 P00352 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
LOXL2 Q9Y4K0 1/20 0.55
HTT P42858 2/20 0.53
CES1 P23141 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
IDO1 P14902 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL6932662 0.85 CYP2C19 (0.61) CYP2C19CYP1A2TSHRMAPTGAA
Silver SCHEMBL11309103 0.83 CYP2C19 (0.59) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL1369962 0.83 CYP2C19 (0.59) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL76204 0.83 CYP2C19 (0.64) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL30643815 0.83 CYP2C19 (0.64) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL3083250 0.82 CYP2C19 (0.57) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL43494 0.82 CYP2C19 (0.57) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL1369959 0.82 CYP2C19 (0.62) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL3946229 0.82 CYP2C19 (0.57) CYP2C19CYP1A2TSHRMAPTGAA
SCHEMBL3083245 0.82 CYP2C19 (0.57) CYP2C19CYP1A2TSHRMAPTGAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100233415-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND MITSUI CHEMICALS, INC. (JP) 2010-09-16 US disclosed
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
EP-1997856-A1 OPTICAL RECORDING MEDIUM AND AZO METAL CHELATE COMPOUND Mitsui Chemicals, Inc. (JP) 2008-12-03 EP disclosed
US-7405030-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2008-07-29 US disclosed
EP-1930339-A2 Imide compound MITSUI CHEMICALS, INC. (JP) 2008-06-11 EP disclosed
US-20070259151-A1 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-11-08 US disclosed
US-7259260-B2 Imide compound and optical recording media made by using the same MITSUI CHEMICALS, INC. (JP) 2007-08-21 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 EP disclosed
US-20050208425-A1 Imide compound and optical recording media made by using the same YAMAMOTO CHEMICALS, INC. (JP) 2005-09-22 US disclosed
EP-0934296-B1 CHROMAN DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2003-06-04 EP disclosed
US-6486178-B1 Indane derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-26 US disclosed
EP-1085009-A1 INDAN DERIVATIVES Nissan Chemical Industries, Ltd. (JP) 2001-03-21 EP disclosed
US-6066631-A Chroman derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
EP-0934296-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-08-11 EP disclosed
WO-1998004542-A1 CHROMAN DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-05 WO disclosed
EP-0495982-B1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 1996-06-12 EP disclosed
US-5378700-A Against hypoxemia of respiratory diseases TEIJIN LIMITED (JP) 1995-01-03 US disclosed
EP-0495982-A1 BICYCLIC PYRIMIDINE DERIVATIVE, METHOD OF PRODUCING THE SAME, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1992-07-29 EP 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 CYP2C19 3409/4885CYP1A2 3682/4885TSHR 3610/4885
US-20050208425-A1 Imide compound and optical recording media made by using the same CRY1, MTNR1A, TRPA1 CYP2C19 972/4885CYP1A2 837/4885TSHR 2576/4885

“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.