SCHEMBL3597213

SCHEMBL3597213

CCOC(=O)NC(=O)/C(C#N)=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
POLB P06746 1/20 1.00
MEN1 O00255 5/20 0.73
KMT2A Q03164 5/20 0.73
PSMD14 O00487 1/20 0.73
LMNA P02545 2/20 0.56
PLIN1 O60240 1/20 0.56
PLIN5 Q00G26 1/20 0.56
ABHD5 Q8WTS1 1/20 0.56
RAB9A P51151 1/20 0.53
USP2 O75604 1/20 0.52
MAPT P10636 3/20 0.50
MCL1 Q07820 1/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
EGFR P00533 1/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL3597216 1.00 ALDH1A1 (1.00) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3604145 0.92 ALDH1A1 (0.86) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3604143 0.92 ALDH1A1 (0.86) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3606773 0.87 ALDH1A1 (0.77) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3606770 0.87 ALDH1A1 (0.77) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3614715 0.86 ALDH1A1 (0.75) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3614719 0.86 ALDH1A1 (0.75) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3599900 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3605164 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3616064 0.81 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2APSMD14

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 4582/4885MEN1 3762/4885

“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.