SCHEMBL3607449

SCHEMBL3607449

CCOC(=O)NC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.68
POLB P06746 1/20 0.68
MEN1 O00255 5/20 0.66
KMT2A Q03164 5/20 0.66
PSMD14 O00487 1/20 0.66
RAB9A P51151 1/20 0.59
MAPT P10636 5/20 0.48
KDM4E B2RXH2 3/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
MAPK1 P28482 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
USP2 O75604 1/20 0.47
ALOX12 P18054 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 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
SCHEMBL30913898 1.00 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3607452 1.00 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3606771 0.91 ALDH1A1 (0.56) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3606763 0.91 ALDH1A1 (0.56) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3617037 0.88 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3619012 0.88 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2APSMD14
SCHEMBL3610678 0.84 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL15082797 0.84 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL3610679 0.84 ALDH1A1 (0.67) ALDH1A1POLBMEN1KMT2ARAB9A
SCHEMBL3610764 0.83 TP53 (0.47) 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.