SCHEMBL17819451

SCHEMBL17819451

O=C1Cc2cc([N+](=O)[O-])ccc2Oc2c(Br)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.40
HSP90AA1 P07900 1/20 0.39
TDP2 O95551 2/20 0.39
LMNA P02545 2/20 0.37
RAB9A P51151 1/20 0.37
TLR9 Q9NR96 1/20 0.37
PTPRC P08575 3/20 0.37
S100A4 P26447 2/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
CHEK1 O14757 1/20 0.36
PIM1 P11309 1/20 0.36
LIMK1 P53667 1/20 0.36
TYRO3 Q06418 1/20 0.36
MAPK14 Q16539 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL16545943 0.85 MEN1 (0.46) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL11576199 0.81 MAPT (0.56) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL4228822 0.79 MEN1 (0.50) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL17820516 0.74 MEN1 (0.40) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL17820630 0.74 KMT2A (0.41) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL17820055 0.74 MEN1 (0.41) KMT2AMEN1MAPTLMNARAB9A
SCHEMBL11577362 0.73 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL7114542 0.73 MEN1 (0.45) KMT2AMEN1MAPTALDH1A1HSP90AA1
SCHEMBL17827859 0.73 MAPT (0.41) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL17820807 0.72 MEN1 (0.41) KMT2AMEN1MAPTALDH1A1TDP2

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 KMT2A 1128/4885MEN1 772/4885MAPT 3669/4885

“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.