SCHEMBL15976552

SCHEMBL15976552

O=C1NC2=C(C(=O)CCC2)C(c2ccccc2)N1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.74
KMT2A Q03164 2/20 0.74
MEN1 O00255 1/20 0.74
TDP1 Q9NUW8 1/20 0.60
KDM4E B2RXH2 3/20 0.59
GAA P10253 2/20 0.59
MAPK1 P28482 1/20 0.55
CACNA1D Q01668 1/20 0.55
GPR174 Q9BXC1 3/20 0.52
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.50
MAPK10 P53779 1/20 0.50
FFAR3 O14843 1/20 0.46
ABCC9 O60706 1/20 0.46
ABCC8 Q09428 1/20 0.46
KCNJ11 Q14654 1/20 0.46
KCNJ8 Q15842 1/20 0.46
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL13425344 0.83 GAA (0.57) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL18724770 0.81 KMT2A (0.60) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL13425486 0.80 KMT2A (0.59) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL7817258 0.79 GPR174 (0.72) ALDH1A1KMT2AMEN1TDP1GAA
SCHEMBL16583631 0.74 ALDH1A1 (0.74) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL13302833 0.74 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL29044382 0.73 MAPT (0.73) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL13302829 0.73 MEN1 (0.59) ALDH1A1KMT2AMEN1KDM4ELMNA
SCHEMBL7824313 0.73 GPR174 (0.60) ALDH1A1KMT2AMEN1TDP1KDM4E
SCHEMBL7012598 0.72 GPR174 (0.59) ALDH1A1KMT2AMEN1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US disclosed
US-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS UNIVERSITE MONTPELLIER 2 SCIENCES ET TECHNIQUES (FR) 2015-12-31 US disclosed
WO-2014128283-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2014-08-28 WO disclosed
EP-2769765-A1 Use of compositions obtained by calcing particular metal-accumulating plants for implementing catalytical reactions Centre National De La Recherche Scientifique (FR) 2014-08-27 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 (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-20150376224-A1 USE OF COMPOSITIONS OBTAINED BY CALCINING PARTICULAR METAL-ACCUMULATING PLANTS FOR IMPLEMENTING CATALYTICAL REACTIONS CACYBP, PPA1, IPMK ALDH1A1 3184/4885KMT2A 3086/4885MEN1 1327/4885

“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.