SCHEMBL3614719

SCHEMBL3614719

COC(=O)NC(=O)C(C#N)=Cc1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.75
POLB P06746 1/20 0.75
LMNA P02545 6/20 0.57
PLIN1 O60240 1/20 0.57
PLIN5 Q00G26 1/20 0.57
ABHD5 Q8WTS1 1/20 0.57
MCL1 Q07820 1/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
PSMD14 O00487 1/20 0.54
ATM Q13315 1/20 0.53
MAPK1 P28482 3/20 0.52
MITF O75030 2/20 0.52
MAPT P10636 2/20 0.52
TP53 P04637 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.51
MDM2 Q00987 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL3614715 1.00 ALDH1A1 (0.75) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL3606074 0.86 ALDH1A1 (0.68) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL3606077 0.86 ALDH1A1 (0.68) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL3597213 0.86 ALDH1A1 (1.00) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL3597216 0.86 ALDH1A1 (1.00) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL4246045 0.81 MCL1 (0.62) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL30645352 0.81 ATM (0.70) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL6927070 0.81 MCL1 (0.62) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL4246049 0.81 MCL1 (0.62) ALDH1A1POLBLMNAPLIN1PLIN5
SCHEMBL3617037 0.79 ALDH1A1 (0.50) ALDH1A1POLBLMNAKMT2AMEN1

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.