SCHEMBL1801176

SCHEMBL1801176

O=C1C=C(N(CCO)Cc2ccc(Cl)nc2)CO1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
KDM1A O60341 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
CHRNA1 P02708 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL1800501 0.88 CHRNA1 (0.32) ALDH1A1KDM1AMEN1KMT2AATM
SCHEMBL120449 0.88 CHRNA1 (0.32) ALDH1A1KDM1ACHRNA1CHRNB2CHRNA3
SCHEMBL1796525 0.86 PSEN1 (0.31) ALDH1A1KDM1ACHRNA1CHRNB2CHRNA3
SCHEMBL502076 0.86 PSEN1 (0.31) ALDH1A1KDM1ACHRNA1CHRNB2CHRNA3
SCHEMBL29845433 0.86 PSEN1 (0.31) ALDH1A1KDM1ACHRNA1CHRNB2CHRNA3
SCHEMBL2893249 0.85 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AATM
SCHEMBL3025243 0.84 L3MBTL1 (0.42) ALDH1A1KDM1AMEN1KMT2A
SCHEMBL230302 0.84 ALDH1A1 (0.33) ALDH1A1KDM1AMEN1KMT2AATM
SCHEMBL29728023 0.84 ALDH1A1 (0.33) ALDH1A1KDM1AMEN1KMT2AATM
SCHEMBL28892260 0.83 CYP1A2 (0.33) ALDH1A1CHRNA1CHRNB2CHRNA3CHRNA7

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 EP disclosed
EP-2021344-B1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2013-05-08 EP disclosed
US-7951951-B2 Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-05-31 US disclosed
US-7951951-B2 Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-05-31 US disclosed
US-7951951-B2 Bicyclic enamino(thio)carbonyl compounds BAYER CROPSCIENCE AG (DE) 2011-05-31 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
US-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-07-16 US disclosed
EP-2021344-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS Bayer CropScience AG (DE) 2009-02-11 EP disclosed
WO-2007115647-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2007-10-18 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-20090181947-A1 BICYCLIC ENAMINO(THIO)CARBONYL COMPOUNDS TARS2, TBCA, DDT ALDH1A1 2672/4885KDM1A 2823/4885MEN1 3825/4885

“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.