SCHEMBL3355305

SCHEMBL3355305

Cc1c(OCc2ccccc2)c(=O)ccn1CC(O)CO

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.67
SMN1; SMN2 Q16637 3/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 1/20 0.67
NPC1 O15118 1/20 0.61
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK14 Q16539 2/20 0.41
MAOB P27338 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
SCHEMBL15381942 0.89 HTT (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29062620 0.88 HTT (0.70) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669370 0.85 HTT (0.67) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1359033 0.85 HTT (0.50) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669327 0.85 HTT (0.67) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12949756 0.84 SMN1; SMN2 (0.71) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23969816 0.83 HTT (0.67) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1357175 0.83 ALDH1A1 (0.48) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6195550 0.82 HTT (0.47) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL30669399 0.82 HTT (0.67) HTTSMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021457-B1 METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONES DERIVATIVES FROM AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS ISTITUTO BIOCHIMICO PAVESE PHA (IT) 2003-04-09 EP claimed
US-6177409-B1 2-(ALKYL OR HALOALKYL)-3-HYDROXY PYRAN-4-ONE IS HYDROXYL-PROTECTED, AND REACTED WITH AN AMINO ITOL TO SUBSTITUTED THE INTRACYCLIC OXYGEN OF PYRANONE WITH THE AMINE OF THE AMINO ITOL; IRON(III) CHELATORS FOR BLOOD DISORDERS INSTITUTO BIOCHIMICO PAVESE PHARMA S.P.A. (IT) 2001-01-23 US claimed
US-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2011-08-18 US disclosed
EP-2178862-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE Healthcare AS (NO) 2010-04-28 EP disclosed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 US disclosed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 US disclosed
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS GE HEALTHCARE AS (NO) 2010-03-25 US disclosed
WO-2009021948-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) GE HEALTHCARE AS (NO) 2009-02-19 WO disclosed
EP-1021457-B1 METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONES DERIVATIVES FROM AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS ISTITUTO BIOCHIMICO PAVESE PHA (IT) 2003-04-09 EP disclosed
US-6177409-B1 2-(ALKYL OR HALOALKYL)-3-HYDROXY PYRAN-4-ONE IS HYDROXYL-PROTECTED, AND REACTED WITH AN AMINO ITOL TO SUBSTITUTED THE INTRACYCLIC OXYGEN OF PYRANONE WITH THE AMINE OF THE AMINO ITOL; IRON(III) CHELATORS FOR BLOOD DISORDERS INSTITUTO BIOCHIMICO PAVESE PHARMA S.P.A. (IT) 2001-01-23 US disclosed
EP-1021457-A1 METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONS DERIVATIVES FROM AMINOMONOSACCHARIDES OR AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS Istituto Biochimico Pavese Pharma SPA (IT) 2000-07-26 EP disclosed
WO-1998001458-A1 METHOD FOR THE SITE SPECIFIC SYNTHESIS OF NOVEL 3-HYDROXYPYRIDIN-4(1H)-ONS DERIVATIVES FROM AMINOMONOSACCHARIDES OR AMINOITOLS, PRODUCTS OBTAINED BY THIS METHOD AND THEIR APPLICATIONS ISTITUTO BIOCHIMICO PAVESE PHARMA SPA (IT) 1998-01-15 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 (2 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-20110200536-A1 CHELATORS, PARAMAGNETIC CHELATES THEREOF AND THEIR USE AS CONTRAST AGENTS IN MAGNETIC RESONANCE IMAGING (MRI) TSPO, PML, AIP HTT 410/4885SMN1; SMN2 2492/4885MEN1 575/4885
US-20100076199-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PYRIDONE CARBOXYLIC ACIDS PNPO, PGD, PDXK HTT 4051/4885SMN1; SMN2 2855/4885MEN1 694/4885

“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.