SCHEMBL1968275

SCHEMBL1968275

COC(=O)C(C)(NCCC#N)c1ccc(O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ESRRG P62508 5/20 0.35
ESRRB O95718 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
CHRM2 P08172 2/20 0.35
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
GAA P10253 1/20 0.34
GUSB P08236 1/20 0.34
LMNA P02545 1/20 0.33
TYR P14679 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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 0.82 ESRRG (0.38) ESR1ESR2ESRRGESRRBALDH1A1
SCHEMBL1968656 0.80 ESRRG (0.38) ESR1ESR2ESRRGESRRBALDH1A1
SCHEMBL1970164 0.79 POLB (0.41) ESR1ESR2ESRRGESRRBALDH1A1
SCHEMBL1969036 0.78 MAOB (0.39) ESR1ESR2ESRRGESRRBALDH1A1
SCHEMBL1971759 0.76 POLB (0.40) ESR1ESR2ALDH1A1CYP3A4CHRM2
SCHEMBL1969109 0.74 PKM (0.39) ESR1ESR2ESRRGESRRBALDH1A1
SCHEMBL1970446 0.74 ESR1 (0.43) ESR1ESR2ESRRGESRRBALDH1A1
SCHEMBL13305942 0.72 MEN1 (0.38) ALDH1A1GAAMEN1KMT2A
SCHEMBL834511 0.68 CHRM2 (0.53) ESR1ESR2ESRRGALDH1A1CYP3A4
SCHEMBL3573740 0.68 CNR1 (0.53) ESR1ESR2ESRRGALDH1A1CYP3A4

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 4 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

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 ESR1 156/4885ESR2 185/4885ESRRG 246/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 ESR1 156/4885ESR2 187/4885ESRRG 246/4885

“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.