SCHEMBL4054681

SCHEMBL4054681

COc1ccc2c(c1)C(=O)c1cccnc1CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.58
CYP19A1 P11511 3/20 0.52
MAPK14 Q16539 8/20 0.51
MAOB P27338 2/20 0.51
TYMS P04818 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
METAP1 P53582 1/20 0.47
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL1867967 0.89 CYP19A1 (0.50) MAOACYP19A1MAPK14MAOBTYMS
SCHEMBL1866656 0.83 MEN1 (0.51) MAOACYP19A1NPC1RAB9AALDH1A1
SCHEMBL10415247 0.83 MAOA (0.42) MAOACYP19A1MAPK14MAOBTYMS
SCHEMBL10414603 0.82 MAPK14 (0.47) CYP19A1MAPK14TYMSNPC1RAB9A
SCHEMBL5337855 0.81 MAPK14 (0.67) MAOACYP19A1MAPK14MAOBNPC1
SCHEMBL6387885 0.79 MAPK14 (0.60) MAPK14TYMSGAATDP1
SCHEMBL10415974 0.79 MAPK14 (0.53) MAPK14TYMSNPC1RAB9AALDH1A1
SCHEMBL4061889 0.79 PBRM1 (0.50) MAOACYP19A1MAPK14MAOBTYMS
SCHEMBL6385750 0.78 CES1 (0.59) MAOACYP19A1MAPK14MAOBALDH1A1
SCHEMBL654789 0.76 ALDH1A1 (0.66) MAOACYP19A1MAPK14MAOBNPC1

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 MAOA 780/4885CYP19A1 1505/4885MAPK14 1139/4885

“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.