SCHEMBL559536

SCHEMBL559536

COC(=O)c1cc(C(=O)c2ccc(Br)cc2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
SLC6A3 Q01959 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 3/20 0.42
NR4A2 P43354 1/20 0.41
ERN1 O75460 1/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 2/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41

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
SCHEMBL2884838 0.85 ALDH1A1 (0.47) MAPTKMT2ARAB9ALMNAMAPK1
SCHEMBL1476688 0.84 NR4A2 (0.51) MAPTKMT2ARAB9ALMNASLC6A3
SCHEMBL30546048 0.84 NR4A2 (0.51) MAPTKMT2ARAB9ALMNASLC6A3
SCHEMBL2892460 0.83 CA12 (0.56) MAPTKMT2ARAB9ALMNAMAPK1
SCHEMBL236631 0.83 MAPK1 (0.44) LMNAMAPK1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL1401556 0.82 KDM4E (0.58) MAPTKMT2ALMNAMEN1SMN1; SMN2
SCHEMBL238839 0.82 OPRK1 (0.39) MAPTKMT2ALMNAMAPK1SMN1; SMN2
SCHEMBL2890368 0.82 ALDH1A1 (0.57) MAPTKMT2ARAB9ALMNAMAPK1
SCHEMBL3652414 0.81 AKR1C3 (0.54) MAPTKMT2ARAB9ALMNAMAPK1
SCHEMBL2885616 0.80 ALDH1A1 (0.54) MAPTKMT2ARAB9ALMNAMAPK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION 2010-11-11 US disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
EP-2185504-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2010-05-19 EP disclosed
WO-2009030887-A2 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2009-03-12 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 (3 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 3787/4885KMT2A 3636/4885RAB9A 3255/4885
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 3714/4885KMT2A 3835/4885RAB9A 3206/4885
US-20100286215-A1 BIS-AROMATIC COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATION LTC4S, LTB4R2, LTB4R MAPT 3432/4885KMT2A 4223/4885RAB9A 3421/4885

“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.