SCHEMBL4052223

SCHEMBL4052223

O=C1c2cc(Br)ccc2OCc2cccnc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 12/20 0.50
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP19A1 P11511 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CDC25B P30305 1/20 0.40
MAPK1 P28482 1/20 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
SCHEMBL4050960 0.86 MAPT (0.63) APPMAPTALDH1A1RAB9ATDP1
SCHEMBL7000587 0.81 MAOB (0.54) MAPTALDH1A1RAB9ATDP1SMN1; SMN2
SCHEMBL4054426 0.81 APP (0.50) APPMAPTALDH1A1RAB9ATDP1
SCHEMBL4060672 0.80 ALDH1A1 (0.66) APPMAPTALDH1A1RAB9ATDP1
SCHEMBL15240550 0.80 ROCK2 (0.46) APPMAPTTDP1L3MBTL1KDM4E
SCHEMBL3142640 0.78 MAPT (0.72) APPMAPTALDH1A1RAB9ATDP1
SCHEMBL9129183 0.77 MAPT (0.58) APPMAPTALDH1A1RAB9ATDP1
SCHEMBL6998860 0.75 FNTA (0.49) CDC25B
SCHEMBL1728678 0.71 MAOA (0.47) MAPTALDH1A1TDP1KDM4EGAA
SCHEMBL3557966 0.71 APP (0.57) APPMAPTALDH1A1RAB9ATDP1

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
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
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 APP 1088/4885MAPT 4493/4885ALDH1A1 1149/4885

“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.