SCHEMBL4200696

SCHEMBL4200696

COCOc1ccc(Cl)cc1-c1cc(-c2cccc(N)c2)c(C#N)c(NC(=O)c2cccs2)n1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 19/20 0.64
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42

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 0.94 KISS1R (0.64) KISS1R
SCHEMBL4216630 0.91 KISS1R (0.64) KISS1R
SCHEMBL4210372 0.89 KISS1R (0.55) KISS1RMEN1ALDH1A1MAPTHPGD
SCHEMBL4207856 0.88 KISS1R (0.51) KISS1R
SCHEMBL4206396 0.87 KISS1R (0.64) KISS1R
SCHEMBL5015333 0.86 KISS1R (0.66) KISS1R
SCHEMBL4208396 0.85 KISS1R (0.61) KISS1R
SCHEMBL4216375 0.83 KISS1R (0.49) KISS1R
SCHEMBL4204979 0.83 KISS1R (0.57) KISS1RMEN1ALDH1A1MAPTKMT2A
SCHEMBL4216447 0.82 KISS1R (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
EP-1921066-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-05-14 EP 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 16/4885MEN1 64/4885ALDH1A1 3446/4885

“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.