SCHEMBL1966633

SCHEMBL1966633

CCc1cc(C#N)ccc1N=C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
CYP2A6 P11509 2/20 0.41
EGLN2 Q96KS0 1/20 0.40
CYP3A4 P08684 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
TRPA1 O75762 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
PGR P06401 1/20 0.34
AR P10275 1/20 0.33
SETDB1 Q15047 1/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
Hydrochloric Acid SCHEMBL7120634 0.98 GABRA1 (0.41) GABRA1GABRB2CYP2A6EGLN2CYP3A4
SCHEMBL7112459 0.86 GABRA1 (0.44) GABRA1GABRB2CYP2A6EGLN2ALDH1A1
SCHEMBL27527095 0.80 CYP2A6 (0.39) CYP2A6EGLN2ABCC9ABCC8KCNJ11
SCHEMBL1967552 0.79 CYP3A4 (0.46) CYP2A6EGLN2CYP3A4ALDH1A1HPGD
SCHEMBL894932 0.78 CYP3A4 (0.55) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL26990357 0.78 CYP2A6 (0.40) CYP2A6EGLN2ALDH1A1HPGDABCC9
SCHEMBL28222905 0.77 GABRA1 (0.46) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL11509013 0.77 GABRA1 (0.46) GABRA1GABRB2CYP2A6CYP3A4ALDH1A1
SCHEMBL109348 0.77 CYP3A4 (0.56) GABRA1GABRB2CYP3A4ALDH1A1HPGD
SCHEMBL13824727 0.75 CYP2A6 (0.52) CYP2A6EGLN2ALDH1A1ABCC9ABCC8

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 GABRA1 487/4885GABRB2 1208/4885CYP2A6 311/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 GABRA1 491/4885GABRB2 1229/4885CYP2A6 317/4885

“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.