Sugi Predict

Sugi Predict / Compounds / SCHEMBL170040

SCHEMBL170040

SCHEMBL170040

NC(=O)C(C(N)=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.67
▸ EPHX1 P07099 1/20 0.54
▸ CYP2D6 P10635 2/20 0.52
▸ LMNA P02545 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALOX5 P09917 1/20 0.48
▸ CTSD P07339 1/20 0.48
▸ CES2 O00748 1/20 0.48
▸ CES1 P23141 1/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ PARP1 P09874 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RECQL P46063 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
SCHEMBL1581315 0.90 SRC (0.76) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL9374736 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL6688665 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL9205835 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL6686339 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL11777346 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL11680362 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL11777339 0.85 SRC (0.56) SRCEPHX1CYP2D6LMNAMAPK1
SCHEMBL8990032 0.84 TDP1 (0.59) SRCEPHX1CYP2D6LMNASMN1; SMN2
SCHEMBL27922212 0.84 SRC (0.54) SRCEPHX1CYP2D6LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693529-A Synthesis method of 2-aza [2.2.2] octane compound 河南师范大学 2023-09-05 — — CN claimed
EP-2771327-A1 NOVEL PYRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2014-09-03 — — EP claimed
CN-101796055-B Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC 2013-09-04 — — CN claimed
WO-2013060751-A1 NOVEL PYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2013-05-02 — — WO claimed
US-8093264-B2 Fused heterocycles as inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE INC. (CA) 2012-01-10 — — US claimed
CN-101747456-A Polypropylene catalyst and preparation method thereof PETROCHINA CO LTD 2010-06-23 — — CN claimed
CN-101747455-A Supported main catalyst for olefin polymerization and preparation method thereof PETROCHINA CO LTD 2010-06-23 — — CN claimed
EP-1765325-A4 2-SUBSTITUTED HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-08-12 — — EP claimed
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
EP-1765325-A2 2-SUBSTITUTED HETEROARYL COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-03-28 — — EP claimed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 — — US claimed
WO-2006012256-A2 FKBP BINDING COMPOSITION AND PHARMACEUTICAL USE THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2006-02-02 — — WO claimed
WO-2006007532-A2 2-SUBSTITUTED HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-01-19 — — WO claimed
EP-0563128-B1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM PHARMA (DE) 1999-03-24 — — EP claimed
EP-0563128-A1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1993-10-06 — — EP claimed
EP-0251194-B1 USE OF CARBOCYCLIC AND HETEROCYCLIC CONDENSED DIHYDROPYRIDINES FOR THE PREPARATION OF CARDIOPROTECTIVE REMEDIES AND HETEROCYCLIC AND CARBOCYCLIC CONDENSED DIHYDROPYRIDINES AND METHODS AND INTERMEDIATES FOR THEIR PREPARATION BOEHRINGER INGELHEIM KG (DE) 1993-03-31 — — EP claimed
WO-1992011010-A1 NEW 3,4-DIHYDROISOQUINOLINE DERIVATES AND NEW PHARMACEUTICAL USE OF CARBOCYCLICALLY AND HETEROCYCLICALLY ANNULATED DIHYDROPYRIDINES BOEHRINGER INGELHEIM KG (DE) 1992-07-09 — — WO claimed
US-4958018-A REACTING A 3-HALOMETHYL-3-CEPHEM WITH A LEAD REDUCING AGENT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-09-18 — — US claimed
EP-0251194-A1 Use of carbocyclic and heterocyclic condensed dihydropyridines for the preparation of cardioprotective remedies and heterocyclic and carbocyclic condensed dihydropyridines and methods and intermediates for their preparation BOEHRINGER INGELHEIM KG (DE) 1988-01-07 — — EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SRC 190/4885EPHX1 2528/4885CYP2D6 4501/4885

“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.