SCHEMBL4413253

SCHEMBL4413253

CC(C)(C)n1nnnc1Br

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL4410900 0.75
SCHEMBL4408429 0.75
SCHEMBL4405635 0.71
SCHEMBL4631171 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4405820 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL23767448 0.70 ALDH1A1 (0.39) ALDH1A1HDAC1HDAC6LMNANPSR1
SCHEMBL2910271 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL10244855 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4408869 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1
SCHEMBL4412005 0.70 ALDH1A1 (0.39) ALDH1A1LMNANPSR1

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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
EP-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed
EP-0846117-B1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES WYETH CORP (US) 2003-05-14 EP disclosed
US-5977372-A Chloro or bromo[2-[2-(tert-butyl)-2H-tetrazol-5-yl]phenyl]zinc intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-02 US disclosed
EP-0846117-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-10 EP disclosed
US-5760220-A REACTING PROTECTED TETRAZOLYLPHENYL ZINC HALIDE WITH HALOPHENYLMETHYL PYRIDO/2,3-D/PYRIMIDONE IN PRESENCE OF PALLADIUM OR NICKEL CATALYST AMERICAN HOME PRODUCTS CORPORATION (US) 1998-06-02 US disclosed
WO-1996040684-A1 PROCESS FOR PREPARATION OF BIPHENYL DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-12-19 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-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients PNPO, CYP4X1, PDXK ALDH1A1 894/4885HDAC1 386/4885HDAC6 3219/4885
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS PNPO, CYP4X1, PDXK ALDH1A1 894/4885HDAC1 386/4885HDAC6 3219/4885

“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.