SCHEMBL1967552

SCHEMBL1967552

Cc1cc(C#N)ccc1N=C=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
TRPA1 O75762 1/20 0.46
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP2A6 P11509 1/20 0.39
AR P10275 3/20 0.34
EGLN2 Q96KS0 4/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
P2RX7 Q99572 1/20 0.33
CASP3 P42574 1/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
FFAR1 O14842 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 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
SCHEMBL27918615 0.86 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1107184 0.85 CYP3A4 (0.59) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL7122086 0.81 ALDH1A1 (0.39) CYP3A4ALDH1A1HPGDTDP1CYP2A6
SCHEMBL13952700 0.81 ALDH1A1 (0.41) ALDH1A1TDP1CYP2A6AREGLN2
SCHEMBL1966633 0.79 GABRA1 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL28566732 0.78 VCAM1 (0.42) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL1124701 0.78 CYP3A4 (0.36) CYP3A4TRPA1ALDH1A1HPGDTDP1
Hydrochloric Acid SCHEMBL7120634 0.77 GABRA1 (0.41) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL26884185 0.77 CYP2A6 (0.41) ALDH1A1CYP2A6AREGLN2CASP3
SCHEMBL31115174 0.76 CYP3A4 (0.52) CYP3A4TRPA1ALDH1A1HPGDTDP1

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 8 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
EP-1507757-A1 LACTAMS USED AS ANTI-VIRAL AGENTS Bayer HealthCare AG (DE) 2005-02-23 EP disclosed
WO-2003097595-A1 LACTAMS USED AS ANTI-VIRAL AGENTS BAYER HEALTHCARE AG (DE) 2003-11-27 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 CYP3A4 84/4885TRPA1 1613/4885ALDH1A1 300/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 CYP3A4 83/4885TRPA1 1588/4885ALDH1A1 290/4885

“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.