SCHEMBL1969109

SCHEMBL1969109

C=CCNC(C)(C(=O)OC)c1ccc(O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
CHRM2 P08172 2/20 0.39
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.36
ESR1 P03372 2/20 0.36
CYP3A4 P08684 2/20 0.36
ESR2 Q92731 2/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
GAA P10253 1/20 0.36
ESRRG P62508 4/20 0.35
TYR P14679 2/20 0.35
LMNA P02545 1/20 0.35
AR P10275 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL1970358 0.79 ESRRG (0.38) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1969036 0.78 MAOB (0.39) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1968656 0.77 ESRRG (0.38) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1970446 0.76 ESR1 (0.43) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1970164 0.75 POLB (0.41) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1968275 0.74 ESR1 (0.37) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL1971759 0.72 POLB (0.40) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL834511 0.70 CHRM2 (0.53) CHRM2ALDH1A1ESR1CYP3A4ESR2
SCHEMBL5954434 0.70 PKM (0.35) PKMMAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3573740 0.70 CNR1 (0.53) CHRM2ALDH1A1ESR1CYP3A4ESR2

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 PKM 2583/4885CHRM2 515/4885MAPK1 2974/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 PKM 2604/4885CHRM2 534/4885MAPK1 2962/4885

“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.