SCHEMBL17820646

SCHEMBL17820646

O=C(O)Cc1cc([N+](=O)[O-])ccc1Oc1ccccc1Br

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.53
CYP1A2 P05177 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.46
CHRM1 P11229 1/20 0.45
CXCL8 P10145 2/20 0.44
HSPB1 P04792 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
GAA P10253 2/20 0.42
CRHBP P24387 2/20 0.42
CRHR2 Q13324 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HPGD P15428 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
SCHEMBL17820647 1.00 TBXA2R (0.53) TBXA2RCYP1A2PTGDR2CHRM1CXCL8
SCHEMBL17827844 0.84 TBXA2R (0.56) TBXA2RCYP1A2HSPB1MEN1KMT2A
SCHEMBL17820180 0.82 TBXA2R (0.55) TBXA2RHSPB1MEN1KMT2AMAPT
SCHEMBL4687954 0.80 CYP1A2 (0.56) CYP1A2PTGDR2HSPB1MEN1KMT2A
SCHEMBL4236690 0.80 CYP1A2 (0.56) CYP1A2PTGDR2HSPB1MEN1KMT2A
SCHEMBL11580438 0.79 HSPB1 (0.61) CYP1A2HSPB1MEN1KMT2AMAPT
SCHEMBL17820557 0.78 TBXA2R (0.51) TBXA2RHSPB1MEN1KMT2AMAPT
SCHEMBL3737258 0.78 CYP1A2 (0.64) CYP1A2PTGDR2MEN1KMT2AMAPT
SCHEMBL3737256 0.78 CYP1A2 (0.64) CYP1A2PTGDR2MEN1KMT2AMAPT
SCHEMBL4847499 0.77 HSD17B10 (0.60) CYP1A2MEN1KMT2AMAPTGAA

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 4168/4885CYP1A2 2094/4885PTGDR2 4006/4885

“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.