SCHEMBL1800501

SCHEMBL1800501

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
KDM1A O60341 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL29845433 0.91 PSEN1 (0.31) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL502076 0.91 PSEN1 (0.31) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL1796525 0.91 PSEN1 (0.31) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL120449 0.88 CHRNA1 (0.32) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL1801176 0.88 ALDH1A1 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL2893249 0.85 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AATM
SCHEMBL3025243 0.84 L3MBTL1 (0.42) ALDH1A1KDM1AMEN1KMT2A
SCHEMBL28892260 0.83 CYP1A2 (0.33) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL28892254 0.83 MDM2 (0.34) CHRNA1CHRNB2CHRNA3CHRNA7CHRNA4
SCHEMBL28892248 0.82 GBA1 (0.37) ALDH1A1

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 11 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
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 CHRNA1 4241/4885CHRNB2 4470/4885CHRNA3 3698/4885

“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.