SCHEMBL17820581

SCHEMBL17820581

COC(=O)c1ccc([N+](=O)[O-])cc1Oc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.53
KCNMA1 Q12791 2/20 0.45
GAA P10253 3/20 0.44
MAPT P10636 2/20 0.44
RORC P51449 1/20 0.44
KMT2A Q03164 4/20 0.44
POLB P06746 3/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CRHBP P24387 2/20 0.42

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
SCHEMBL17820557 0.86 TBXA2R (0.51) TBXA2RGAAMAPTKMT2AMEN1
SCHEMBL490654 0.80 ALDH1A1 (0.49) GAAMAPTKMT2ALMNAHTT
SCHEMBL26631729 0.80 ALDH1A1 (0.46) TBXA2RMAPTKMT2APOLBMEN1
SCHEMBL656472 0.80 HTT (0.60) KCNMA1GAAMAPTKMT2APOLB
SCHEMBL2721981 0.80 ALDH1A1 (0.49) GAAMAPTKMT2APOLBMEN1
SCHEMBL21732400 0.79 KMT2A (0.55) GAAMAPTKMT2APOLBMEN1
SCHEMBL17820180 0.79 TBXA2R (0.55) TBXA2RGAAMAPTKMT2AMEN1
SCHEMBL10788663 0.79 MAPT (0.48) KCNMA1GAAMAPTRORCKMT2A
SCHEMBL28961637 0.78 HSPB1 (0.47) TBXA2RMAPTKMT2APOLBMEN1
SCHEMBL9234021 0.77 ALDH1A1 (0.52) KCNMA1MAPTRORCKMT2APOLB

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 TBXA2R 4168/4885KCNMA1 990/4885GAA 4389/4885

“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.