SCHEMBL13801809

SCHEMBL13801809

COc1ccc(C(=O)Nc2nc(-c3ccccc3O)cc(-c3cccc(C(=O)NCCCn4ccnc4)c3)c2C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 9/20 0.74
NAMPT P43490 9/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 1/20 0.55
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL13801795 0.96 KISS1R (0.68) KISS1RNAMPT
SCHEMBL13801738 0.93 KISS1R (0.62) KISS1RNAMPT
SCHEMBL13801849 0.92 KISS1R (0.60) KISS1RNAMPT
SCHEMBL13801773 0.91 KISS1R (0.60) KISS1RNAMPT
SCHEMBL13801784 0.90 KISS1R (0.75) KISS1RNAMPT
SCHEMBL13801762 0.89 MEN1 (0.61) KISS1RNAMPT
SCHEMBL13801750 0.86 KISS1R (0.59) KISS1RNAMPTALDH1A1
SCHEMBL13801895 0.86 KISS1R (0.54) KISS1RNAMPT
SCHEMBL13801799 0.85 KISS1R (1.00) KISS1R
SCHEMBL13801882 0.85 KISS1R (0.74) KISS1RTSHR

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
US-20090156646-A1 PYRIDYLPHENOL COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 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 16/4885NAMPT 947/4885ALDH1A1 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.