SCHEMBL1129638

SCHEMBL1129638

COc1cc(Oc2ccccc2)ccc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.55
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NTRK1 P04629 1/20 0.45
IGF1R P08069 1/20 0.45
FGFR1 P11362 1/20 0.45
NTRK2 Q16620 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
AR P10275 2/20 0.43
GSTP1 P09211 1/20 0.43
CHEK2 O96017 1/20 0.43
TTR P02766 3/20 0.42
RHEB Q15382 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
SCHEMBL31518358 1.00 LTA4H (0.55) LTA4HALDH1A1HTTMAPK1L3MBTL1
SCHEMBL16890039 0.86 LTA4H (0.50) LTA4HALDH1A1SMN1; SMN2TSHRMEN1
SCHEMBL17472498 0.85 LTA4H (0.55) LTA4HALDH1A1HTTMAPK1L3MBTL1
SCHEMBL11646840 0.82 LTA4H (0.61) LTA4HALDH1A1HTTMAPK1L3MBTL1
SCHEMBL2099937 0.81 ALDH1A1 (0.63) LTA4HALDH1A1HTTMAPK1L3MBTL1
SCHEMBL1128891 0.81 LTA4H (0.59) LTA4HHTTL3MBTL1SMN1; SMN2TSHR
SCHEMBL29558143 0.80 CA12 (0.62) ALDH1A1MEN1KMT2A
SCHEMBL167090 0.80 CA12 (0.62) ALDH1A1MEN1KMT2A
SCHEMBL14127541 0.80 CA12 (0.62) ALDH1A1MEN1KMT2A
SCHEMBL5472622 0.80 AR (0.53) MAPK1KDM4EMEN1KMT2AAR

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 10 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
US-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease PHARMACIA & UPJOHN 2005-02-17 US disclosed
EP-1443923-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-11 EP disclosed
WO-2003037325-A1 HYDROXY SUBSTITUTED AMIDES FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-08 WO disclosed
CN-1390219-A Pyrazolopyrimidines as therapeutic agents ABBOTT AG (DE) 2003-01-08 CN disclosed
US-5747540-A ENZYME INHIBITORS HYDROXY INDOLEAMIDES, COUMARIN AMIDES AND ISOTHIOCOUMARIN AMIDES MERCK & CO., INC. (US) 1998-05-05 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 (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-20050038019-A1 Hydroxy substituted amides for the treatment of alzheimer's disease BACE1, APP, BACE2 LTA4H 410/4885ALDH1A1 554/4885HTT 26/4885
US-20090286768-A1 SUBSTITUTED IMIDAZOPYR- AND IMIDAZOTRI-AZINES ABL1, TPMT, CYP2C19 LTA4H 4152/4885ALDH1A1 292/4885HTT 513/4885

“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.