SCHEMBL4206396

SCHEMBL4206396

COCOc1cc(Br)ccc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2cccs2)n1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 20/20 0.64

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
SCHEMBL4196978 0.91 KISS1R (0.64) KISS1R
SCHEMBL4208396 0.89 KISS1R (0.61) KISS1R
SCHEMBL4208047 0.89 KISS1R (0.57) KISS1R
SCHEMBL4200696 0.87 KISS1R (0.64) KISS1R
SCHEMBL4216630 0.87 KISS1R (0.64) KISS1R
SCHEMBL5015337 0.86 KISS1R (0.68) KISS1R
SCHEMBL4206368 0.85 KISS1R (0.63) KISS1R
SCHEMBL4210056 0.84 KISS1R (0.62) KISS1R
SCHEMBL4204527 0.83 KISS1R (0.63) KISS1R
SCHEMBL4209981 0.82 KISS1R (0.75) KISS1R

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703459-B2 Catalytic domains of beta(1,4)-galactosyltransferase I having altered metal ion specificity THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2014-04-22 US claimed
US-20080199905-A1 Catalytic Domains Of Beta(1,4)-Galactosyltransferase I Having Altered Metal Ion Specificity GOVERMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-08-21 US claimed
US-8703459-B2 Catalytic domains of beta(1,4)-galactosyltransferase I having altered metal ion specificity THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2014-04-22 US disclosed
US-20090233345-A1 Catalytic domains of beta(1,4)-galactosyl transferase i having altered donor and acceptor specificities, domains that promote in vitro protein folding, and methods for their use Govt. of the US, as represented by the secretary, Dept. of Health and Human Services (US) 2009-09-17 US disclosed
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
US-7482133-B2 Catalytic domains of β(1,4)-galactosyltransferase I having altered donor and acceptor specificities, domains that promote in vitro protein folding, and methods for their use THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-01-27 US disclosed
US-20080199905-A1 Catalytic Domains Of Beta(1,4)-Galactosyltransferase I Having Altered Metal Ion Specificity GOVERMENT OF THE US, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-08-21 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP disclosed
US-20060084162-A1 Catalytic domains of beta(1,4)-galactosyltransferase I having altered donor and acceptor specificities, domains that promote in vitro protein folding, and methods for their use GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2006-04-20 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 (1 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-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF GNRHR, PGR, MC1R KISS1R 16/4885

“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.