SCHEMBL2368522

SCHEMBL2368522

CCC/C(=C(\C#N)C(=O)OCC)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
USP2 O75604 1/20 0.41
CRHBP P24387 1/20 0.41
RAB9A P51151 1/20 0.41
CRHR2 Q13324 1/20 0.41
ESR1 P03372 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DHODH Q02127 1/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2368525 1.00 ALDH1A1 (0.48) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL2369040 0.88 MAPT (0.49) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL2369039 0.88 MAPT (0.49) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL2368825 0.83 CES2 (0.47) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
Etocrylene SCHEMBL39390 0.82 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
Etocrylene SCHEMBL1768864 0.82 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL8076184 0.82 MAPT (0.56) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL8076180 0.82 MAPT (0.56) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
SCHEMBL14194425 0.82 MAPT (0.56) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2
Etocrylene SCHEMBL4076085 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPK1MAPTSMN1; SMN2

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-8022076-B2 Thieno[2,3-d]pyrimidine derivatives as potassium channel modulators; antiarrhythmia agents XENTION LIMITED (GB) 2011-09-20 US disclosed
EP-1641803-B3 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2010-12-08 EP disclosed
EP-1641803-B1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION LTD (GB) 2009-03-18 EP disclosed
EP-1641803-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS Xention Discovery Limited (GB) 2006-04-05 EP disclosed
US-20050026935-A1 Compounds XENTION DISCOVERY LTD. 2005-02-03 US disclosed
WO-2004111057-A1 THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS XENTION DISCOVERY LIMITED (GB) 2004-12-23 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-20050026935-A1 Compounds KCNJ11, KCNJ1, KCNH1 ALDH1A1 247/4885LMNA 1126/4885MAPK1 667/4885

“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.