SCHEMBL325730

SCHEMBL325730

C=CCN(C(=O)CC(=O)OC)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
USP2 O75604 1/20 0.41
BRCA1 P38398 1/20 0.41
GLA P06280 1/20 0.41
TP53 P04637 1/20 0.41
ALOX5 P09917 1/20 0.39

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
SCHEMBL7597972 0.85 TSHR (0.45) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL2288616 0.85 SMN1; SMN2 (0.46) TSHRRAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6427847 0.84 TSHR (0.49) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5805479 0.83 TSHR (0.57) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8516064 0.81 ALDH1A1 (0.59) TSHRSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL4207496 0.81 TSHR (0.51) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7498798 0.80 TSHR (0.48) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL10694643 0.79 TSHR (0.49) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5461474 0.78 NPC1 (0.61) RAB9ASMN1; SMN2ALDH1A1NPC1MEN1
SCHEMBL10695523 0.78 TSHR (0.49) TSHRRAB9ASMN1; SMN2ALDH1A1NPC1

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
EP-2590949-B1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2015-11-25 EP disclosed
CN-103119023-B Improved method for manufacturing of quinoline-3-carboxamides ACTIVE BIOTECH AB 2014-12-24 CN disclosed
US-8871936-B2 Method for manufacturing of quinoline-3-carboxamides ACTIVE BIOTECH AB (SE) 2014-10-28 US disclosed
CN-103119023-A Method for manufacturing of quinoline-3-carboxamides ACTIVE BIOTECH AB 2013-05-22 CN disclosed
EP-2590949-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES Active Biotech AB (SE) 2013-05-15 EP disclosed
US-20130109860-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2013-05-02 US disclosed
WO-2012004338-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ACTIVE BIOTECH AB (SE) 2012-01-12 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-20130109860-A1 METHOD FOR MANUFACTURING OF QUINOLINE-3-CARBOXAMIDES ADH1A, ADH5, ADH1C TSHR 2053/4885RAB9A 569/4885SMN1; SMN2 2209/4885

“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.