SCHEMBL1972977

SCHEMBL1972977

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
TACR3 P29371 1/20 0.37
MIF P14174 2/20 0.36
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP13 P45452 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
FOLH1 Q04609 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
SCHEMBL1968294 0.87 ESR1 (0.49) ESR1ESR2MEN1KMT2ACTSL
SCHEMBL1969740 0.82 ESR1 (0.50) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1968165 0.82 ESR1 (0.50) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1969471 0.78 ESR1 (0.47) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1967807 0.78 ALDH1A1 (0.47) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1967257 0.78 ESR1 (0.49) ESR1ESR2MEN1KMT2ATACR3
SCHEMBL1967839 0.76 SMN1; SMN2 (0.45) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1967355 0.75 ALDH1A1 (0.47) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1968316 0.74 ESR1 (0.48) ESR1ESR2MEN1KMT2ASMN1; SMN2
SCHEMBL1968988 0.73 ESR1 (0.53) ESR1ESR2MEN1KMT2ASMN1; SMN2

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 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.