SCHEMBL17819622

SCHEMBL17819622

O=c1c2cccc(Br)c2oc2cccc([N+](=O)[O-])c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A1 P68400 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
MAOA P21397 6/20 0.48
EGFR P00533 1/20 0.48
TDP1 Q9NUW8 1/20 0.43
CYP19A1 P11511 3/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4324926 0.80 MAOA (0.60) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAOA
SCHEMBL6823540 0.76 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAOA
SCHEMBL3385902 0.76 MAOA (0.57) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAOA
SCHEMBL17820661 0.75 GABRP (0.49) CSNK2A2CSNK2BCSNK2A1CYP19A1MEN1
SCHEMBL17821013 0.75 MEN1 (0.55) CSNK2A2CSNK2BCSNK2A1MAOACYP19A1
SCHEMBL3267918 0.75 MAOA (0.64) MAOAEGFRCYP19A1MAPTALDH1A1
SCHEMBL15678569 0.72 LOXL2 (0.50) MAOAEGFRMAPTKMT2AALDH1A1
SCHEMBL31116911 0.72 MAPT (0.56) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAOA
SCHEMBL580015 0.72 MAPT (0.56) CSNK2A2CSNK2BCSNK2A1CSNK2A3MAOA
SCHEMBL9180139 0.71 MAPT (0.54) CSNK2A2CSNK2BCSNK2A1MEN1MAPT

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 CSNK2A2 573/4885CSNK2B 774/4885CSNK2A1 444/4885

“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.