SCHEMBL691738

SCHEMBL691738

Cc1cc(CC(N)=O)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
POLB P06746 2/20 0.42
EPHX2 P34913 1/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 2/20 0.42
EGFR P00533 2/20 0.42
MAPT P10636 4/20 0.41
RECQL P46063 2/20 0.41
TRPA1 O75762 1/20 0.41
GAPDH P04406 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
S1PR3 Q99500 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL724170 0.82 ALDH1A1 (0.43) EPHX2ALDH1A1GAAEGFRMAPT
SCHEMBL15719546 0.82 ALDH1A1 (0.43) POLBEPHX2ALDH1A1GAAEGFR
SCHEMBL4662727 0.81 POLB (0.41) POLBEPHX2ALDH1A1GAAEGFR
SCHEMBL2824498 0.80 ALDH1A1 (0.46) POLBEPHX2ALDH1A1GAAEGFR
SCHEMBL15581612 0.78 HTT (0.37) HTT
SCHEMBL20020213 0.78 ALDH1A1 (0.47) POLBEPHX2ALDH1A1GAAEGFR
SCHEMBL2828069 0.78 KDM4E (0.44) HTTEPHX2ALDH1A1GAAEGFR
SCHEMBL23576399 0.77 EPHX2 (0.56) POLBEPHX2ALDH1A1GAAEGFR
SCHEMBL17951578 0.77 EGFR (0.46) HTTPOLBEPHX2ALDH1A1EGFR
SCHEMBL6965688 0.77 EPHX2 (0.40) POLBEPHX2ALDH1A1GAAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2014018807-A1 PEPTIDE EPOXYKETONE COMPOUNDS CENTRAX INTERNATIONAL, INC. (US) 2014-01-30 WO disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
EP-2421533-A1 NOVEL ANTI-INFLAMMATORY AGENTS RESVERLOGIX CORP. (CA) 2012-02-29 EP disclosed
US-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 SHIONOGI & CO., LTD. (JP) 2010-04-22 US disclosed
EP-2128134-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 Shionogi&Co., Ltd. (JP) 2009-12-02 EP disclosed
EP-2049484-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS AstraZeneca AB (SE) 2009-04-22 EP disclosed
WO-2008008022-A1 ISOINDOLINE DERIVATIVES FOR THE TREATMENT OF ARRHYTHMIAS ASTRAZENECA AB (SE) 2008-01-17 WO 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 (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-20100099676-A1 SULFONYLUREA DERIVATIVE CAPABLE OF SELECTIVELY INHIBITING MMP-13 MMP13, MMP3, MMP26 HTT 3080/4885POLB 3697/4885EPHX2 3735/4885

“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.