SCHEMBL4054801

SCHEMBL4054801

OC1c2cc(Br)ccc2OCc2cccnc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.34
ADRA2A P08913 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TBXA2R P21731 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
APP P05067 3/20 0.33
TBXAS1 P24557 3/20 0.32
CYP19A1 P11511 1/20 0.32
HTR2B P41595 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4061296 0.82 ADRA2A (0.34) P2RX7ADRA2ATDP1MAPTCYP1A2
SCHEMBL7509159 0.80 TBXA2R (0.41) ADRA2ATBXA2RDRD2DRD3APP
SCHEMBL6991517 0.76 MAP3K14 (0.44) P2RX7FNTAFNTB
SCHEMBL7247480 0.70 DYRK1A (0.40) MAPTTBXA2RHTTDRD2DRD3
SCHEMBL15240550 0.70 ROCK2 (0.46) TDP1MAPTKDM4EMAPK1L3MBTL1
SCHEMBL4052130 0.69 GLA (0.39) KDM4EALDH1A1RAB9A
SCHEMBL4052135 0.69 GLA (0.39) KDM4EALDH1A1RAB9A
SCHEMBL8798118 0.69 DRD2 (0.35) P2RX7ADRA2ATDP1MAPTTBXA2R
SCHEMBL11832084 0.69 AHR (0.54) ADRA2AMAPTHTTDRD2DRD3
SCHEMBL4052223 0.69 APP (0.50) TDP1MAPTKDM4EMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
US-7557212-B2 Tricyclic derivatives as LTD4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-07-07 US disclosed
EP-1560834-B1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL LAB (ES) 2008-06-25 EP disclosed
US-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-01 US disclosed
EP-1560834-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS Almirall Prodesfarma, S.A. (ES) 2005-08-10 EP disclosed
WO-2004043966-A1 NEW TRICYCLIC DERIVATIVES AS LTD4 ANTAGONISTS ALMIRALL PRODESFARMA S.A. (ES) 2004-05-27 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 (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-20060116363-A1 Tricyclic derivatives as ltd4 antagonists LTA4H, LTC4S, LTB4R2 P2RX7 685/4885ADRA2A 822/4885TDP1 4191/4885

“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.