SCHEMBL2734577

SCHEMBL2734577

COc1ccc(CC(N)=O)cc1Br

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.59
RIN1 Q13671 1/20 0.59
HDAC1 Q13547 7/20 0.57
HDAC6 Q9UBN7 4/20 0.57
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 3/20 0.53
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
EPHX2 P34913 1/20 0.48
MAPT P10636 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48

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
Trifluoroacetic Acid SCHEMBL5657613 0.90 ABL1 (0.51) ABL1RIN1HDAC1HDAC6MEN1
SCHEMBL29602721 0.86 LMNA (0.61) ABL1RIN1MEN1ALDH1A1GAA
SCHEMBL1033641 0.86 LMNA (0.61) ABL1RIN1MEN1ALDH1A1GAA
SCHEMBL2853330 0.85 HDAC1 (0.58) ABL1RIN1HDAC1HDAC6MEN1
SCHEMBL138449 0.85 GAA (0.68) ABL1RIN1HDAC1HDAC6ALDH1A1
SCHEMBL136681 0.83 HDAC1 (0.60) ABL1RIN1HDAC1HDAC6MEN1
SCHEMBL1462899 0.83 HDAC1 (0.57) ABL1RIN1HDAC1HDAC6MEN1
SCHEMBL3126685 0.83 ALDH1A1 (0.49) ABL1RIN1HDAC1HDAC6MEN1
SCHEMBL16930166 0.82 HDAC1 (0.56) ABL1RIN1HDAC1HDAC6MEN1
SCHEMBL5724393 0.81 GAA (0.73) HDAC1HDAC6MEN1ALDH1A1GAA

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904439-B1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTHECHNOLOGY CORP (US) 2014-11-26 EP claimed
EP-2205573-B1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2013-10-23 EP claimed
US-8557800-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2013-10-15 US claimed
EP-2074089-B1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2013-09-18 EP claimed
US-8222248-B2 Organic compounds NOVARTIS AG (CH) 2012-07-17 US claimed
EP-2205573-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. Hoffmann-Roche AG (CH) 2010-07-14 EP claimed
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use APOGEE BIOTECHNOLOGY CORPORATION (US) 2010-06-03 US claimed
EP-2074089-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-07-01 EP claimed
WO-2009043780-A1 TETRAZOLE-SUBSTITUTED ARYL AMIDE DERIVATIVES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2009-04-09 WO claimed
EP-1928848-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE Apogee Biothechnology Corporation (US) 2008-06-11 EP claimed
WO-2008048991-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2008-04-24 WO claimed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP claimed
WO-2007019251-A9 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORP (US) 2007-04-19 WO claimed
WO-2007019251-A2 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-15 WO claimed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US claimed
US-RE49811-E1 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2024-01-23 US disclosed
US-20060287317-A1 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-21 US disclosed
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-02-03 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 (4 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-20060287317-A1 SPHINGOSINE KINASE INHIBITORS SPHK1, SPHK2, S1PR1 ABL1 1316/4885RIN1 3207/4885HDAC1 2907/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 ABL1 887/4885RIN1 3131/4885HDAC1 1077/4885
US-20050026918-A1 Novel pyridazinone derivatives as pharmaceuticals and pharmaceutical compositions containing them C5, ADRA2C, ADRA1A ABL1 1788/4885RIN1 2975/4885HDAC1 941/4885
US-20100137315-A1 Sphingosine Kinase Inhibitors and Methods of Their Use SPHK1, SPHK2, S1PR2 ABL1 949/4885RIN1 3175/4885HDAC1 1069/4885

“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.