SCHEMBL2433763

SCHEMBL2433763

COC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDH2 P40926 2/20 0.69
ALDH1A1 P00352 1/20 0.69
HPGD P15428 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
NR4A2 P43354 5/20 0.57
CREBBP Q92793 1/20 0.57
HAT1 O14929 1/20 0.56
EP300 Q09472 1/20 0.56
IMPDH2 P12268 1/20 0.56
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
AXL P30530 1/20 0.50

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
SCHEMBL9023222 0.90 NR4A2 (0.66) MDH2ALDH1A1HPGDSMN1; SMN2NR4A2
SCHEMBL16714028 0.89 MDH2 (0.85) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL2811774 0.88 ALDH1A1 (0.66) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL2084401 0.88 MDH2 (0.66) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL13999542 0.88 MDH2 (0.69) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL17023377 0.88 MDH2 (0.72) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL28106376 0.85 MDH2 (0.69) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL28757823 0.85 MDH2 (0.72) MDH2ALDH1A1HPGDSMN1; SMN2HAT1
SCHEMBL20258227 0.85 ALDH1A1 (0.65) MDH2ALDH1A1HPGDSMN1; SMN2NR4A2
SCHEMBL6824330 0.84 MDH2 (0.70) MDH2ALDH1A1HPGDSMN1; SMN2HAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor NOVARTIS AG (CH) 2012-07-05 US disclosed
EP-1945217-B1 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2012-05-02 EP disclosed
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG 2011-12-08 US disclosed
US-8026247-B2 Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2011-09-27 US disclosed
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-20100249179-A1 Farnesoid X Receptor Agonists SMITHKLINE BEECHAM CORPORATION (US) 2010-09-30 US disclosed
CN-101693709-A Bicyclic amides as kinase inhibitors NOVARTIS AG 2010-04-14 CN disclosed
US-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor NOVARTIS AG 2008-12-11 US disclosed
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors NOVARTIS AG (CH) 2008-11-20 US disclosed
CN-101304747-A Combinations comprising a VEGF receptor inhibitor and a penetration enhancer NOVARTIS AG (CH) 2008-11-12 CN disclosed
EP-1945217-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER Novartis AG (CH) 2008-07-23 EP disclosed
CN-101018784-A Bicyclic amides as kinase inhibitors NOVARTIS AG (CH) 2007-08-15 CN disclosed
EP-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2007031265-A2 COMBINATIONS COMPRISING A VEGF RECEPTOR INHIBITOR AND A PENETRATION ENHANCER NOVARTIS AG (CH) 2007-03-22 WO disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 WO disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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 (6 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-20080306058-A1 Combinations Comprising a Vegf Receptor Inhibitor KDR, FLT4, FLT1 MDH2 2976/4885ALDH1A1 3232/4885HPGD 3212/4885
US-20110301157-A1 BICYCLIC AMIDES AS KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K19 MDH2 992/4885ALDH1A1 2819/4885HPGD 1482/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 MDH2 4432/4885ALDH1A1 981/4885HPGD 4476/4885
US-20080287427-A1 Bicyclic Amides as Kinase Inhibitors MAP3K20, MAP3K1, MAP3K19 MDH2 1036/4885ALDH1A1 3019/4885HPGD 1392/4885
US-20100249179-A1 Farnesoid X Receptor Agonists NR1H4, NR1H3, NR1H2 MDH2 3132/4885ALDH1A1 2185/4885HPGD 943/4885
US-20120172386-A1 Combinations Comprising a VEGF Receptor Inhibitor KDR, FLT4, FLT1 MDH2 2976/4885ALDH1A1 3232/4885HPGD 3212/4885

“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.