SCHEMBL1611630

SCHEMBL1611630

CCOC(=O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 2/20 0.54
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
GPR35 Q9HC97 1/20 0.53
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PABPC1 P11940 1/20 0.51
GALR2 O43603 1/20 0.50
MITF O75030 1/20 0.50
POLB P06746 1/20 0.50
HSP90AA1 P07900 1/20 0.50
XBP1 P17861 1/20 0.50
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL3481205 0.86 TSHR (0.64) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL1523174 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL11464655 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL5752237 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL8991983 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL4728649 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL2977262 0.84 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL4135400 0.84 THRB (0.55) ALDH1A1SMN1; SMN2GAATSHRMAPT
SCHEMBL391265 0.83 GPR35 (0.58) ALDH1A1SMN1; SMN2TSHRCRHBPCRHR2
SCHEMBL31258847 0.83 GPR35 (0.58) ALDH1A1SMN1; SMN2TSHRCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627652-B1 PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAE WOONG PHARMA (KR) 2015-12-16 EP disclosed
EP-2627652-B1 PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAE WOONG PHARMA (KR) 2015-12-16 EP disclosed
EP-2264031-B1 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAE WOONG PHARMA (KR) 2015-04-15 EP disclosed
EP-2264031-B1 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAE WOONG PHARMA (KR) 2015-04-15 EP disclosed
EP-2627652-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF Daewoong Pharmaceutical Co., Ltd (KR) 2013-08-21 EP disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 US disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 US disclosed
US-8362012-B2 Benzoxazine benzimidazole derivative, a pharmaceutical composition comprising the same, and a use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2013-01-29 US disclosed
WO-2012050380-A2 NOVEL PYRIDYL BENZOXAZINE DERIVATIVES, PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2012-04-19 WO disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 US disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 US disclosed
US-8026235-B1 Pyridyl benzoxazine derivatives, pharmaceutical composition comprising the same, and use thereof DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2011-09-27 US disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 US disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 US disclosed
US-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF DAEWOONG PHARMACEUTICALS CO., LTD. (KR) 2011-04-14 US disclosed
EP-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 EP disclosed
EP-2264031-A2 A NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND A USE THEREOF DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2010-12-22 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 (1 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-20110086849-A1 NOVEL BENZOXAZINE BENZIMIDAZOLE DERIVATIVE, A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME, AND AUSE THEREOF TRPV1, HRH4, TRPV4 ALDH1A1 333/4885SMN1; SMN2 3882/4885GAA 1928/4885

“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.