SCHEMBL3616059

SCHEMBL3616059

CCOC(=O)NC(=O)/C(C#N)=C\c1ccc(-c2ccco2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
POLB P06746 4/20 0.68
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
PSMD14 O00487 1/20 0.63
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 9/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
RAB9A P51151 1/20 0.44
HTT P42858 1/20 0.44
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.43
TP53 P04637 3/20 0.42
THRB P10828 1/20 0.42
LMNA P02545 2/20 0.41

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
SCHEMBL3616064 1.00 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3604143 0.84 ALDH1A1 (0.86) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3604145 0.84 ALDH1A1 (0.86) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3597213 0.81 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3597216 0.81 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3606773 0.79 ALDH1A1 (0.77) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3606770 0.79 ALDH1A1 (0.77) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3607452 0.74 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL30913898 0.74 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1PSMD14
SCHEMBL3607449 0.74 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1PSMD14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US claimed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP claimed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 WO claimed
US-20100249165-A1 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2010-09-30 US disclosed
EP-2164478-A2 PDZ DOMAIN MODULATORS University of Copenhagen (DK) 2010-03-24 EP disclosed
WO-2008148747-A2 PDZ DOMAIN MODULATORS UNIVERSITY OF COPENHAGEN (DK) 2008-12-11 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-20100249165-A1 PDZ DOMAIN MODULATORS PDLIM5, PSD, PDCD6IP ALDH1A1 3764/4885POLB 4582/4885KMT2A 2830/4885

“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.