SCHEMBL4057731

SCHEMBL4057731

O=c1c2cc(O)ccc2ccc2ncccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.57
CASP1 P29466 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
CASP7 P55210 1/20 0.54
CYP3A4 P08684 3/20 0.51
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
MAPK14 Q16539 2/20 0.46
LMNA P02545 1/20 0.46
PARP1 P09874 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ERN1 O75460 2/20 0.44
CYP17A1 P05093 2/20 0.42
CYP11B1 P15538 2/20 0.42
CYP11B2 P19099 2/20 0.42
TYMS P04818 1/20 0.42

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
SCHEMBL2451554 0.81 CYP3A4 (0.71) METMEN1KMT2AALDH1A1CYP3A4
SCHEMBL10416445 0.81 MET (0.57) METCYP3A4KDM4EMAPTMAPK14
SCHEMBL4058591 0.81 MET (0.57) METMEN1KMT2AALDH1A1CYP3A4
SCHEMBL13859959 0.80 MAPT (0.71) METMEN1KMT2AALDH1A1CYP3A4
SCHEMBL14159717 0.79 MET (0.59) METCYP3A4KDM4EMAPTMAPK14
SCHEMBL1714506 0.78 CYP3A4 (0.61) CASP1MEN1KMT2AALDH1A1CASP7
SCHEMBL4057472 0.77 MET (0.56) METALDH1A1CYP3A4KDM4EMAPT
SCHEMBL5332442 0.77 TDP1 (0.55) MEN1KMT2AALDH1A1CYP3A4KDM4E
SCHEMBL7129065 0.77 CYP3A4 (0.59) CASP1MEN1KMT2AALDH1A1CASP7
SCHEMBL319528 0.77 CYP3A4 (0.59) CASP1MEN1KMT2AALDH1A1CASP7

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 4765/4885CASP1 1813/4885MEN1 4162/4885

“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.