SCHEMBL559668

SCHEMBL559668

COC(=O)c1cc(C(=O)c2cccc(Nc3ccc(Cl)cc3)c2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
P2RX3 P56373 1/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
ATM Q13315 1/20 0.42
LMNA P02545 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
SCHEMBL559181 0.91 MAPT (0.47) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL5928751 0.82 RAB9A (0.74) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL238194 0.81 LTC4S (0.47) MAPTMEN1KMT2ACASP3SENP7
SCHEMBL2884732 0.79 KMT2A (0.55) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2892434 0.77 CES1 (0.50) MAPTNPSR1MEN1KMT2ALMNA
SCHEMBL1724154 0.77 LTC4S (0.49) MAPTMEN1KMT2AALDH1A1
SCHEMBL230366 0.74 MAPT (0.51) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL14563274 0.74 TRPV1 (0.56) MAPTNPC1RAB9ANPSR1MEN1
SCHEMBL9560810 0.74 MEN1 (0.57) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL1721644 0.73 MDM2 (0.42) MAPTNPC1RAB9AMEN1KMT2A

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
EP-2429994-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-03-21 EP disclosed
US-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
EP-2406223-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103283-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 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 (2 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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 3787/4885NPC1 2951/4885RAB9A 3255/4885
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 3714/4885NPC1 3044/4885RAB9A 3206/4885

“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.