SCHEMBL3013333

SCHEMBL3013333

CCC(=O)c1ccc(F)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 2/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.46
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL30219677 0.86 IDO1 (0.40) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL25578158 0.86 IDO1 (0.40) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL1349781 0.85 MAPT (0.54) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL31149832 0.83 PTPN1 (0.57) NPC1RAB9A
SCHEMBL28037289 0.83 CES2 (0.41) HPGDNPC1RAB9A
SCHEMBL3162903 0.83 PTPN1 (0.57) NPC1RAB9A
SCHEMBL246840 0.83 ACHE (0.42) ALDH1A1NPC1RAB9A
SCHEMBL633278 0.82 CES2 (0.59) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL29654061 0.82 CES2 (0.59) MAPTALDH1A1HPGDTSHRMEN1
SCHEMBL27803947 0.82 ATM (0.49) MAPTALDH1A1HPGDTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117903077-B Dihydrooxadiazinone compound and application thereof 上海超阳药业有限公司 2024-09-03 CN disclosed
CN-117903077-A Dihydrooxadiazinon compound and application thereof 上海超阳药业有限公司 2024-04-19 CN disclosed
CN-106458913-A Antidiabetic tricyclic compounds 默沙东公司 2017-02-22 CN disclosed
CN-104822666-B Terazololine-one compound and application thereof 住友化学株式会社 2016-09-21 CN disclosed
US-9376436-B2 2-(pyridin-2yl)-1, 7-diaza-spiro [4.4] nonane-6-one compound as voltage-gated sodium channels modulators Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
EP-2794612-B1 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2016-04-06 EP disclosed
EP-2188272-B1 PHENYL- AND BENZYLTHIAZOLYLPIPERAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND NV (BE) 2016-02-24 EP disclosed
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2015-08-13 US disclosed
EP-2794612-A1 2 - (PYRIDIN- 2YL) - 1, 7 -DIAZA- SPIRO [4.4]NONANE- 6 -ONE COMPOUNDS AS VOLTAGE - GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2014-10-29 EP disclosed
US-8722681-B2 N-sulfonyl thiazolylpiperazine derivatives and related N-sulfonyl heterocyclic derivatives for the treatment of neuro degenerative diseases NV REMYND (BE) 2014-05-13 US disclosed
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators KATAMREDDY SUBBA REDDY 2008-10-16 US disclosed
EP-1951216-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-08-06 EP disclosed
EP-1934227-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2008-06-25 EP disclosed
WO-2007062145-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-31 WO disclosed
WO-2007035542-A1 2-HETEROARYL-PYRAZOLO-[4, 3-e]-1, 2, 4-TRIAZOLO-[1,5-c]-PYRIMIDINE AS ADENOSINE A2a RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-03-29 WO disclosed
US-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists MERCK SHARP & DOHME LLC 2007-03-22 US disclosed
EP-1745047-A1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2007-01-24 EP disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO disclosed
US-20050239795-A1 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION 2005-10-27 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 (4 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-20070066620-A1 2-Heteroaryl-pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MAPT 1773/4885ALDH1A1 892/4885HPGD 2842/4885
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS SCN1A, SCN2A, SCN1B MAPT 3204/4885ALDH1A1 705/4885HPGD 521/4885
US-20050239795-A1 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists ADORA2A, ADORA3, ADORA1 MAPT 2891/4885ALDH1A1 871/4885HPGD 1475/4885
US-20080255078-A1 Triphenylethylene Compounds Useful as Selective Estrogen Receptor Modulators GPER1, ESR2, ESRRG MAPT 4247/4885ALDH1A1 543/4885HPGD 569/4885

“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.