SCHEMBL2605765

SCHEMBL2605765

CCNC(=O)CC(=O)Nc1cccc(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
ALDH1A1 P00352 1/20 0.66
MEN1 O00255 4/20 0.64
KMT2A Q03164 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MTNR1B P49286 3/20 0.63
USP2 O75604 1/20 0.62
MTNR1A P48039 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
LMNA P02545 1/20 0.59
TP53 P04637 2/20 0.58
GAA P10253 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPT P10636 1/20 0.57
TSHR P16473 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56

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
SCHEMBL5142657 0.91 NPC1 (0.75) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL14817534 0.85 MEN1 (0.68) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL13480581 0.85 MTNR1B (0.72) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL1141400 0.84 MTNR1B (0.81) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL16896918 0.83 NPC1 (0.74) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL3470179 0.83 MEN1 (0.69) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL19010426 0.82 MTNR1B (0.59) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL14839476 0.82 SMN1; SMN2 (0.70) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL8278751 0.82 MTNR1B (0.89) HPGDALDH1A1MEN1KMT2ANPC1
SCHEMBL2856692 0.81 HPGD (0.68) HPGDALDH1A1MEN1KMT2ANPC1

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-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS Mirati Therapeutics, Inc. 2012-04-19 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors Mirati Therapeutics, Inc. 2009-11-19 US disclosed
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY Mirati Therapeutics, Inc. 2009-10-22 US disclosed
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF METHLYGENE INC. (CA) 2008-10-16 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (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-20120095234-A1 PROCESSES AND INTERMEDIATES FOR PREPARING FUSED HETEROCYCLIC KINASE INHIBITORS MAP3K19, MAP3K9, MAP4K2 HPGD 1051/4885ALDH1A1 3152/4885MEN1 1071/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 HPGD 2268/4885ALDH1A1 1649/4885MEN1 3655/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR HPGD 680/4885ALDH1A1 411/4885MEN1 4271/4885
US-20090286984-A1 Processes and intermediates for preparing fused heterocyclic kinase inhibitors MAP3K19, MAP3K9, MAP4K2 HPGD 1051/4885ALDH1A1 3152/4885MEN1 1071/4885
US-20090264440-A1 INHIBITORS OF PROTEIN TYROSINE KINASE ACTIVITY HGF, ERBB2, MET HPGD 3075/4885ALDH1A1 3139/4885MEN1 3231/4885
US-20080255155-A1 KINASE INHIBITORS AND USES THEREOF ABL1, MAP3K20, MAP3K1 HPGD 2987/4885ALDH1A1 3553/4885MEN1 1165/4885

“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.