SCHEMBL4199932

SCHEMBL4199932

CCOc1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2OCOC)cc(-c2cccc(C(=O)NCCN(C(=O)O)C(C)(C)C)c2)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 17/20 0.52
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FYN P06241 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNMA1 Q12791 1/20 0.35

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
SCHEMBL4197534 0.95 KISS1R (0.58) KISS1RFYN
SCHEMBL4205518 0.93 KISS1R (0.51) KISS1RFYN
SCHEMBL5017433 0.90 KISS1R (0.56) KISS1RMEN1KMT2AUSP2TP53
SCHEMBL4215075 0.87 KISS1R (0.58) KISS1R
SCHEMBL4205469 0.87 KISS1R (0.43) KISS1R
SCHEMBL4208495 0.87 KISS1R (0.55) KISS1RFYN
SCHEMBL5023345 0.85 KISS1R (0.63) KISS1R
SCHEMBL4203526 0.84 KISS1R (0.49) KISS1R
SCHEMBL5013999 0.83 KISS1R (0.54) KISS1R
SCHEMBL4210862 0.83 KISS1R (0.57) 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 1 patent. 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

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 64/4885KMT2A 714/4885

“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.