SCHEMBL458392

SCHEMBL458392

CC(C)(C)OC(=O)Nc1ccc(Cl)c(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
STAT3 P40763 1/20 0.44
MAOB P27338 1/20 0.44
CYP17A1 P05093 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 2/20 0.42
RORC P51449 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL6814964 0.88 MAPT (0.56) CA9CA12CA1CYP17A1MEN1
SCHEMBL29881333 0.88 MAPT (0.56) CA9CA12CA1CYP17A1MEN1
SCHEMBL16303890 0.86 EPHX1 (0.58) CA9CA12CA1MEN1KMT2A
SCHEMBL2349732 0.83 CA12 (0.54) CA9CA12CA1CYP17A1MEN1
SCHEMBL4612314 0.83 CA12 (0.48) CA9CA12CA1CYP17A1MEN1
SCHEMBL30064575 0.83 CA12 (0.48) CA9CA12CA1STAT3CYP17A1
SCHEMBL6096909 0.83 CA1 (0.48) CA9CA12CA1CYP17A1MEN1
SCHEMBL5744348 0.83 CA12 (0.48) CA9CA12CA1STAT3CYP17A1
SCHEMBL31214788 0.83 CA12 (0.54) CA9CA12CA1CYP17A1MEN1
SCHEMBL4589638 0.83 CA12 (0.54) CA9CA12CA1STAT3CYP17A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2025-06-12 US disclosed
US-12195453-B2 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2025-01-14 US disclosed
EP-4043460-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2024-06-05 EP disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-05-18 US disclosed
US-11440907-B1 Antiproliferation compounds and uses thereof MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed
US-8362004-B2 Piperazine analogs as broad-spectrum influenza antivirals BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
CN-102762206-A Homogeneous suspension of immunopotentiating compounds and uses thereof NOVARTIS AG 2012-10-31 CN disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
US-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-20 US disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
WO-2012033736-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-15 WO disclosed
US-7846944-B2 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2010-12-07 US disclosed
EP-2152704-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE Amgen, Inc (US) 2010-02-17 EP disclosed
US-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof AMGEN INC. (US) 2009-01-08 US disclosed
WO-2008137176-A1 PYRAZOLO-PYRIDINONE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR PHARMACEUTICAL USE AMGEN INC. (US) 2008-11-13 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 (6 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-20120238539-A1 NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, HCRTR1 CNR2 100/4885CA9 3943/4885CA12 2976/4885
US-12195453-B2 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CNR2 3634/4885CA9 3354/4885CA12 4103/4885
US-20090012299-A1 Pyrazolo-pyridinone compounds and methods of use thereof MAPK1, MAP3K1, MAP4K2 CNR2 327/4885CA9 4691/4885CA12 4805/4885
US-11440907-B1 Antiproliferation compounds and uses thereof MKI67, MCL1, CCNI CNR2 3634/4885CA9 3354/4885CA12 4103/4885
US-20230150993-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CNR2 3634/4885CA9 3354/4885CA12 4103/4885
US-20250188070-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MKI67, MCL1, CCNI CNR2 3634/4885CA9 3354/4885CA12 4103/4885

“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.