SCHEMBL3600542

SCHEMBL3600542

CC(C)OC(=O)NC(=O)C(C#N)=Cc1cccc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
POLB P06746 1/20 0.56
ATM Q13315 2/20 0.51
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 8/20 0.46
MAPK1 P28482 7/20 0.46
LMNA P02545 6/20 0.46
MEN1 O00255 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 3/20 0.46
MITF O75030 2/20 0.46
MDM2 Q00987 1/20 0.46
TP53 P04637 4/20 0.46
MAPT P10636 4/20 0.46
RGS12 O14924 3/20 0.46
GMNN O75496 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
ALOX15 P16050 3/20 0.46
ALOX12 P18054 3/20 0.46

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
SCHEMBL3600538 1.00 ALDH1A1 (0.56) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3606074 0.89 ALDH1A1 (0.68) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3606077 0.89 ALDH1A1 (0.68) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3596498 0.85 ALDH1A1 (0.45) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3596496 0.85 ALDH1A1 (0.45) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3610757 0.79 TP53 (0.47) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3610764 0.79 TP53 (0.47) ALDH1A1POLBATMKDM4EKMT2A
SCHEMBL3614719 0.76 ALDH1A1 (0.75) ALDH1A1POLBATMKMT2AMAPK1
SCHEMBL3614715 0.76 ALDH1A1 (0.75) ALDH1A1POLBATMKMT2AMAPK1
SCHEMBL3604145 0.73 ALDH1A1 (0.86) ALDH1A1POLBKDM4EKMT2AMAPK1

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 4582/4885ATM 4408/4885

“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.