SCHEMBL4057472

SCHEMBL4057472

COc1ccc2ccc3ncccc3c(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.56
LMNA P02545 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SYK P43405 2/20 0.49
MAPK1 P28482 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 2/20 0.47
TYMS P04818 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
MAOA P21397 1/20 0.46
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 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
SCHEMBL29613251 0.80 CYP3A4 (0.56) LMNAKDM4ESYKMAPK1NPSR1
SCHEMBL5334950 0.79 CYP1A2 (0.59) KDM4ERAB9ANPC1ALDH1A1MAPT
SCHEMBL14159717 0.79 MET (0.59) METLMNAKDM4ECYP3A4RAB9A
SCHEMBL2451554 0.77 CYP3A4 (0.71) METLMNAKDM4ECYP3A4RAB9A
SCHEMBL4057731 0.77 MET (0.57) METLMNAKDM4EMAPK1CYP3A4
SCHEMBL4058591 0.77 MET (0.57) METLMNAKDM4ENPSR1CYP3A4
SCHEMBL10416445 0.77 MET (0.57) METLMNAKDM4ECYP3A4TYMS
SCHEMBL13859959 0.77 MAPT (0.71) METLMNAKDM4ECYP3A4RAB9A
SCHEMBL619653 0.74 RAB9A (0.59) LMNAKDM4ESYKCYP3A4RAB9A
SCHEMBL29831778 0.74 RAB9A (0.59) LMNAKDM4ESYKCYP3A4RAB9A

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 MET 4765/4885LMNA 4007/4885KDM4E 1356/4885

“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.