SCHEMBL1968294

SCHEMBL1968294

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.49
ESR2 Q92731 4/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CTSS P25774 3/20 0.42
CTSL P07711 1/20 0.42
TACR3 P29371 1/20 0.39
MIF P14174 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
CYP1A2 P05177 1/20 0.38
CTSK P43235 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL1972977 0.87 ESR1 (0.46) ESR1ESR2MEN1KMT2ACTSS
SCHEMBL1967257 0.84 ESR1 (0.49) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL1968165 0.79 ESR1 (0.50) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL1969740 0.79 ESR1 (0.50) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL1968316 0.77 ESR1 (0.48) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL10210691 0.76 ESR1 (0.53) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL1968988 0.76 ESR1 (0.53) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL12379279 0.76 ESR1 (0.53) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL17483400 0.76 ESR1 (0.53) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL13919960 0.76 ESR1 (0.53) ESR1ESR2MEN1KMT2ATACR3

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 185/4885MEN1 1102/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 ESR1 156/4885ESR2 187/4885MEN1 1118/4885

“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.