SCHEMBL17819637

SCHEMBL17819637

O=C(O)c1ccc([N+](=O)[O-])cc1Oc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PYGL P06737 10/20 0.54
TBXA2R P21731 2/20 0.53
PLAU P00749 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PYGM P11217 3/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44

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
SCHEMBL7823632 0.89 KDM4E (0.55) PYGLPLAUKDM4EPYGMALDH1A1
SCHEMBL5752469 0.86 MAPT (0.54) PYGLTBXA2RPLAUKDM4EPYGM
SCHEMBL17827857 0.83 TBXA2R (0.55) PYGLTBXA2RPLAUKDM4EALDH1A1
SCHEMBL20281786 0.83 KDM4E (0.51) PYGLKDM4EALDH1A1CYP3A4LMNA
SCHEMBL17037019 0.80 MEN1 (0.71) PYGLPLAUPYGMALDH1A1TDP1
SCHEMBL17820557 0.79 TBXA2R (0.51) PYGLTBXA2RPLAUPYGMALDH1A1
SCHEMBL26936314 0.79 KDM4E (0.56) PYGLKDM4EALDH1A1CYP3A4MEN1
SCHEMBL7913156 0.79 PYGL (0.57) PYGLKDM4EPYGMALDH1A1TDP1
SCHEMBL5214063 0.78 MAPT (0.57) TBXA2RKDM4EALDH1A1TDP1CYP3A4
SCHEMBL2820914 0.77 ALDH1A1 (0.50) PYGLTBXA2RPLAUALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042900-B1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORP (JP) 2020-09-23 EP disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (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-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 PYGL 3963/4885TBXA2R 4168/4885PLAU 4749/4885

“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.