SCHEMBL1969472

SCHEMBL1969472

C#CCC(N)(C(=O)OC)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MAOB P27338 1/20 0.36
BLM P54132 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MPO P05164 1/20 0.36
KDM5A P29375 1/20 0.36
GFER P55789 1/20 0.36
PMP22 Q01453 1/20 0.36
HIF1A Q16665 1/20 0.36
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
KCNN4 O15554 1/20 0.34
CHRM2 P08172 1/20 0.34
MMP1 P03956 1/20 0.34

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
SCHEMBL1970458 0.87 MMP1 (0.47) CYP3A4ALDH1A1CA1CA2MMP1
SCHEMBL1969036 0.73 MAOB (0.39) CYP3A4ALDH1A1MAOBCA12CA1
SCHEMBL1969078 0.72 ESR1 (0.45) CYP3A4ALDH1A1BLMCA12CA1
SCHEMBL28841774 0.72 ESR1 (0.45) CYP3A4ALDH1A1BLMCA12CA1
SCHEMBL20794384 0.72 CA12 (0.44) CYP3A4ALDH1A1BLMCA12CA1
SCHEMBL19347769 0.72 ESR1 (0.45) CYP3A4ALDH1A1BLMCA12CA1
SCHEMBL28918320 0.69 CA12 (0.41) CYP3A4ALDH1A1BLMCA12CA1
SCHEMBL1824580 0.68 CYP3A4 (0.38) CYP3A4ALDH1A1BLMCA12CA1
SCHEMBL834511 0.68 CHRM2 (0.53) CYP3A4ALDH1A1CA12CA1CA2
SCHEMBL3573740 0.68 CNR1 (0.53) CYP3A4ALDH1A1CA12CA1CA2

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-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 US disclosed
EP-2026799-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH Galapagos SAS (FR) 2009-02-25 EP disclosed
WO-2007137874-A2 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2007-12-06 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 (2 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 CYP3A4 84/4885ALDH1A1 300/4885MAOB 2770/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 CYP3A4 83/4885ALDH1A1 290/4885MAOB 2774/4885

“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.