SCHEMBL17820180

SCHEMBL17820180

O=C(O)c1cc([N+](=O)[O-])ccc1Oc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.55
CTSV O60911 3/20 0.53
CTSL P07711 3/20 0.53
MYC P01106 1/20 0.48
MAX P61244 1/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 1/20 0.47
HSPB1 P04792 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SERPINE1 P05121 1/20 0.45

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 0.90 TBXA2R (0.51) TBXA2RCTSVCTSLMYCMAX
SCHEMBL17820684 0.86 HSPB1 (0.51) TBXA2RCTSVCTSLMAPTGAA
SCHEMBL14399017 0.86 CTSV (0.53) CTSVCTSLMYCMAXMAPT
SCHEMBL17820300 0.85 HSPB1 (0.50) TBXA2RCTSVCTSLMAPTKMT2A
SCHEMBL5733622 0.85 TBXA2R (0.55) TBXA2RCTSVCTSLMYCMAX
SCHEMBL11388169 0.85 HTT (0.61) CTSVCTSLMAPTMEN1KMT2A
SCHEMBL5214063 0.84 MAPT (0.57) TBXA2RCTSVCTSLMYCMAX
SCHEMBL17820376 0.84 MAPT (0.51) TBXA2RCTSVCTSLMAPTMEN1
SCHEMBL5732390 0.83 CTSV (0.53) CTSVCTSLMYCMAXMAPT
SCHEMBL17820505 0.82 HSPB1 (0.52) CTSVCTSLMYCMAXMAPT

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 4168/4885CTSV 4456/4885CTSL 4166/4885

“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.