SCHEMBL876029

SCHEMBL876029

O=Cc1ccc(Oc2ccc(F)cc2F)nc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HSPB1 P04792 1/20 0.59
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MAP4K4 O95819 1/20 0.44
BRD4 O60885 1/20 0.41
P2RX3 P56373 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
GAA P10253 1/20 0.40
TRPA1 O75762 2/20 0.39

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
SCHEMBL21902136 0.88 ALDH1A1 (0.64) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL21902703 0.86 ALDH1A1 (0.54) ALDH1A1L3MBTL1HSPB1POLBHPGD
SCHEMBL21902092 0.86 KDM4E (0.61) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL509754 0.85 ALDH1A1 (0.63) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL21903995 0.83 ALDH1A1 (0.61) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL883704 0.83 HSPB1 (0.56) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL21901743 0.82 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL883764 0.81 HSPB1 (0.51) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL877440 0.81 HSPB1 (0.51) ALDH1A1L3MBTL1HSPB1POLBMEN1
SCHEMBL875882 0.80 ALDH1A1 (0.47) ALDH1A1L3MBTL1HSPB1POLBMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-10-26 US disclosed
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2020-04-23 US disclosed
WO-2020079042-A1 4-PYRIDINYLMETHYL-MORPHOLINE DERIVATIVES AND THE USE THEREOF AS MEDICAMENT BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-04-23 WO disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO 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 (4 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-11155539-B2 4-pyridinylmethyl-morpholine derivatives and the use thereof as medicament GRIN2A, GRIN2C, GRIN3A ALDH1A1 1678/4885L3MBTL1 4788/4885HSPB1 3276/4885
US-20200123141-A1 4-Pyridinylmethyl-Morpholine Derivatives and the use thereof as Medicament GRIN2A, GRIN2C, GRIN3A ALDH1A1 1678/4885L3MBTL1 4788/4885HSPB1 3276/4885
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885L3MBTL1 3983/4885HSPB1 4175/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 ALDH1A1 3675/4885L3MBTL1 3983/4885HSPB1 4175/4885

“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.