SCHEMBL1128891

SCHEMBL1128891

CCOc1cc(Oc2ccccc2)ccc1Br

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.59
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.40
PLA2G2A P14555 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL11560257 0.83 LTA4H (0.63) LTA4HTSHRHTTMAPTL3MBTL1
SCHEMBL5519840 0.82 KDM4E (0.56) LTA4HTSHRLMNAMAPTHPGD
SCHEMBL16890039 0.82 LTA4H (0.50) LTA4HTHRATHRBTSHRMAPT
SCHEMBL30926069 0.82 KDM4E (0.56) LTA4HTSHRLMNAMAPTHPGD
SCHEMBL1129638 0.81 LTA4H (0.55) LTA4HTSHRLMNAHTTL3MBTL1
SCHEMBL31518358 0.81 LTA4H (0.55) LTA4HTSHRLMNAHTTL3MBTL1
SCHEMBL24993556 0.79 CA12 (0.47) LMNAMAPTHPGDKDM4EHSD17B10
SCHEMBL24314305 0.78 LTA4H (0.61) LTA4HTSHRHTTMAPTHPGD
SCHEMBL24314304 0.77 LTA4H (0.59) LTA4HTSHRTDP1L3MBTL1SMN1; SMN2
SCHEMBL29469900 0.77 LTA4H (0.59) LTA4HTSHRTDP1L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481733-B2 Substituted imidazopyr- and imidazotri-azines OSI Pharmaceuticals, LLC (US) 2013-07-09 US disclosed
EP-2283020-B1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARM INC (US) 2012-10-31 EP disclosed
EP-2283020-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI Pharmaceuticals, Inc. (US) 2011-02-16 EP disclosed
WO-2009143051-A1 SUBSTITUTED IMIDAZOPYR-AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-26 WO disclosed
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES OSI PHARMACEUTICALS, INC. (US) 2009-11-19 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-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 LTA4H 4152/4885THRA 2782/4885THRB 3403/4885

“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.