SCHEMBL4052937

SCHEMBL4052937

O=C1c2cc(OCc3ccc4cc(F)c(Cl)cc4n3)ccc2OCc2ncccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
PDE10A Q9Y233 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5 P09917 1/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
ALOX12 P18054 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4055028 0.93 MAPK14 (0.42) MAPK14PDE10AMEN1KMT2ASMN1; SMN2
SCHEMBL7801392 0.89 MAPT (0.48) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13765232 0.84 PDE10A (0.39) MAPK14PDE10AMEN1KMT2ACYSLTR2
SCHEMBL4052528 0.81 LTB4R (0.43) PDE10ALTB4RCYSLTR2CYSLTR1ALOX5AP
SCHEMBL4057906 0.80 PDE10A (0.40) PDE10AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4058667 0.80 SMN1; SMN2 (0.39) PDE10AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4057661 0.77 PDE10A (0.42) MAPK14PDE10ACYSLTR2CYSLTR1
SCHEMBL4237247 0.76 LTB4R (0.37) PDE10AALOX5LTB4RCYSLTR2CYSLTR1
SCHEMBL7813413 0.75 MAPT (0.52) MAPK14PDE10AKMT2ASMN1; SMN2NPC1
SCHEMBL4229150 0.75 LTB4R (0.36) LTB4RCYSLTR2CYSLTR1ALOX5AP

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 6 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

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 MAPK14 1139/4885PDE10A 2198/4885MEN1 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.