SCHEMBL17819557

SCHEMBL17819557

O=[N+]([O-])c1cccc2c1Cc1cccc(Br)c1O2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
GPR35 Q9HC97 1/20 0.34
ALDH1A1 P00352 6/20 0.34
MAPT P10636 4/20 0.34
KMT2A Q03164 2/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 2/20 0.34
RECQL P46063 1/20 0.34
MCL1 Q07820 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.33
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 4/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL9282985 0.81 MAOA (0.50) ACHETDP1GPR35ALDH1A1MAPT
SCHEMBL16545943 0.77 MEN1 (0.46) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL17820516 0.77 MEN1 (0.40) TDP1ALDH1A1MAPTKMT2AHSD17B10
SCHEMBL17820675 0.75 MAPKAPK2 (0.39)
SCHEMBL17996012 0.72 MEN1 (0.36) TDP1GPR35ALDH1A1MAPTKMT2A
SCHEMBL11813909 0.72 MAOA (0.59) CYP3A4LMNASMN1; SMN2TSHR
Ammonia Solution, Strong SCHEMBL27809956 0.71 TDP1 (0.50) ACHETDP1GPR35ALDH1A1MAPT
Bromide SCHEMBL7268760 0.71 TDP1 (0.50) ACHETDP1GPR35ALDH1A1MAPT
SCHEMBL17820545 0.71 MEN1 (0.43) TDP1ALDH1A1MAPTKMT2APOLB
SCHEMBL17820806 0.70 MEN1 (0.40) ALDH1A1KMT2APOLBLMNAHTT

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 9 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
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEM, LTD. (KR) 2016-08-11 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 (2 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 ACHE 1829/4885TDP1 3318/4885GPR35 1869/4885
US-20160233431-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME CRY1, CRY2, NR2E3 ACHE 977/4885TDP1 3616/4885GPR35 2406/4885

“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.