SCHEMBL3596496

SCHEMBL3596496

CC(C)OC(=O)NC(=O)/C(C#N)=C\c1cccc(-c2ccco2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
POLB P06746 2/20 0.45
LMNA P02545 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
MAPK1 P28482 3/20 0.42
HPGD P15428 2/20 0.42
MITF O75030 1/20 0.42
MDM2 Q00987 1/20 0.42
ATM Q13315 2/20 0.41
KDM4E B2RXH2 5/20 0.40
BRD2 P25440 1/20 0.39
MAPT P10636 3/20 0.38
PSMD14 O00487 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 3/20 0.37
RGS12 O14924 2/20 0.37
GMNN O75496 2/20 0.37
CYP1A2 P05177 2/20 0.37

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
SCHEMBL3596498 1.00 ALDH1A1 (0.45) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3600542 0.85 ALDH1A1 (0.56) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3600538 0.85 ALDH1A1 (0.56) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3606077 0.79 ALDH1A1 (0.68) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3606074 0.79 ALDH1A1 (0.68) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3616064 0.74 ALDH1A1 (0.68) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3616059 0.74 ALDH1A1 (0.68) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3610757 0.74 TP53 (0.47) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3610764 0.74 TP53 (0.47) ALDH1A1POLBLMNASMN1; SMN2MEN1
SCHEMBL3614719 0.67 ALDH1A1 (0.75) ALDH1A1POLBLMNASMN1; SMN2MEN1

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 4582/4885LMNA 4607/4885

“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.