SCHEMBL6080995

SCHEMBL6080995

Nc1cccc(Br)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAOA P21397 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
THRA P10827 2/20 0.45
THRB P10828 2/20 0.45
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 1/20 0.41
APP P05067 1/20 0.41
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
IDO1 P14902 1/20 0.41
POLB P06746 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40

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
SCHEMBL1154801 0.87 THRB (0.56) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL8316680 0.81 MAOB (0.55) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL10050849 0.80 MAOB (0.47) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL1981693 0.80 TDP1 (0.56) MAOBMAPTGAAL3MBTL1RAB9A
SCHEMBL924217 0.79 KDM1A (0.54) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL29562989 0.79 KDM1A (0.54) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL12772155 0.79 HTR1A (0.50) MAOBMAPTGAAL3MBTL1SMN1; SMN2
SCHEMBL3785631 0.79 L3MBTL1 (0.46) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL3407002 0.79 KDM1A (0.57) MAOBMAPTGAAL3MBTL1MAOA
SCHEMBL3119872 0.79 HTR1A (0.50) MAOBMAPTGAAL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 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 (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-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 MAOB 2925/4885MAPT 4632/4885GAA 3106/4885
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL MAOB 402/4885MAPT 1575/4885GAA 589/4885

“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.