SCHEMBL13062015

SCHEMBL13062015

C=C1CN(C)CCc2ccc(NC(=O)[C@@]3(NC(=O)c4ccc(Cl)s4)CCOC3)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.40
ALK Q9UM73 1/20 0.40
WDR91 A4D1P6 1/20 0.40
KMT2A Q03164 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL13062014 1.00 MET (0.40) METALKWDR91KMT2ALMNA
SCHEMBL3017351 0.91 WDR91 (0.40) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL2573467 0.90 KMT2A (0.42) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3766845 0.90 KMT2A (0.42) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3781597 0.90 KMT2A (0.42) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3028277 0.86 WDR91 (0.40) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3027948 0.85 KMT2A (0.43) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3766857 0.84 KMT2A (0.38) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3774872 0.84 KMT2A (0.38) WDR91KMT2ALMNAMAPK1KDM4E
SCHEMBL3766853 0.84 KMT2A (0.38) WDR91KMT2ALMNAMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US 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-20100317848-A1 PROCESS FOR THE SYNTHESIS OF DERIVATIVES OF 3-AMINO-TETRAHYDROFURAN-3-CARBOXYLIC ACID AND USE THEREOF AS MEDICAMENTS GART, DDC, ALDH7A1 MET 415/4885ALK 365/4885WDR91 3480/4885

“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.