SCHEMBL4593391

SCHEMBL4593391

COc1ccccc1NC(=O)CC(N)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
HSD17B10 Q99714 1/20 0.73
ALDH1A1 P00352 5/20 0.68
LMNA P02545 1/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
POLB P06746 3/20 0.63
USP2 O75604 1/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 2/20 0.59
GAA P10253 1/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL2007035 0.90 MEN1 (0.76) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL19026947 0.85 ALDH1A1 (0.67) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL306869 0.85 KMT2A (0.74) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL31590799 0.85 KMT2A (0.69) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL54737 0.85 KMT2A (0.69) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL29389614 0.85 KMT2A (0.74) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL1645833 0.85 ADRA2C (0.67) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL469606 0.84 KDM1A (0.64) MAPTHSD17B10ALDH1A1LMNAMEN1
SCHEMBL2755842 0.84 ALDH1A1 (0.77) MAPTHSD17B10ALDH1A1LMNAMEN1
Hydrochloric Acid SCHEMBL7422552 0.83 ADRA2C (0.65) MAPTHSD17B10ALDH1A1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957498-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING MethylGene Inc. (CA) 2008-08-20 EP claimed
WO-2008041053-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2008-04-10 WO claimed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 US claimed
EP-1957498-B1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC (CA) 2017-02-15 EP disclosed
US-8329726-B2 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-12-11 US disclosed
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE INC. 2012-04-05 US disclosed
EP-1303485-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2003-04-23 EP disclosed
US-6541638-B2 (2S,4S)-1-(4-Mercapto-1-(naphthalene-2-sulfonyl)-pyrrolidine-2 -carbonyl)-piperidine-4-carboxylic acid ethyl ester for example; zinc protease inhibitors; for treating diseases associated with vasoconstriction HOFFMAN-LA ROCHE INC. 2003-04-01 US disclosed
US-20020049243-A1 Pyrrolidine derivatives HOFFMANN-LA ROCHE INC. 2002-04-25 US disclosed
WO-2002006222-A1 PYRROLIDINE DERIVATIVES AS INHIBITORS OF ENDOTHELIN-CONVERTING ENZYME F. HOFFMANN-LA ROCHE AG (CH) 2002-01-24 WO disclosed
EP-0335046-B1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI CHEM IND (JP) 1993-12-01 EP disclosed
US-4904787-A CYCLIZATION USING POLYPHOSPHORIC ACID; NONHYDROLIZING, ONE STEP MITSUBISHI KASEI CORPORATION (JP) 1990-02-27 US disclosed
EP-0335046-A1 Method for producing 2,4-dihydroxyquinoline derivatives MITSUBISHI KASEI CORPORATION (JP) 1989-10-04 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 (3 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-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 MAPT 2430/4885HSD17B10 2812/4885ALDH1A1 1649/4885
US-20120083482-A1 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING HGF, MET, KDR MAPT 4370/4885HSD17B10 892/4885ALDH1A1 411/4885
US-20020049243-A1 Pyrrolidine derivatives PREP, PEPD, DNPEP MAPT 2428/4885HSD17B10 799/4885ALDH1A1 767/4885

“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.