SCHEMBL352338

SCHEMBL352338

O=C(O)c1nnccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.40
KDM4E B2RXH2 8/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
L3MBTL1 Q9Y468 4/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
AGER Q15109 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 2/20 0.35
ASPH Q12797 1/20 0.35
KDM8 Q8N371 1/20 0.35
CYP2C9 P11712 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
NAPRT Q6XQN6 3/20 0.34
CA12 O43570 3/20 0.34

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
SCHEMBL19691158 0.80 KMT2A (0.37) KDM4EALDH1A1MAPTL3MBTL1TSHR
SCHEMBL29008885 0.77 KDM4E (0.44) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL5769273 0.77 KDM4E (0.52) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL5270728 0.76 HCAR2 (0.39) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL20928645 0.76 MAPT (0.40) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL354481 0.76 HCAR2 (0.39) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL5120006 0.76 KDM4E (0.44) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL821719 0.74 FTO (0.62) KDM5BFTOEGLN2EGLN1HIF1AN
SCHEMBL11846126 0.72 MAPT (0.38) HCAR2KDM4EALDH1A1MAPTL3MBTL1
SCHEMBL31445147 0.71 KMO (0.36) HCAR2KDM4EALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-1486489-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2016-04-27 EP disclosed
EP-1516874-B1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2015-08-19 EP disclosed
EP-1937682-B1 MET KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2015-08-12 EP disclosed
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP disclosed
US-8629164-B2 Inhibitors of NF-κB PROFECTUS BIOSCIENCES, INC. (US) 2014-01-14 US disclosed
CN-102414190-A Inhibitors of NF-kB PROFECTUS BIOSCIENCES INC 2012-04-11 CN disclosed
EP-2411376-A1 INHIBITORS OF NF-KB Profectus Biosciences, Inc. (US) 2012-02-01 EP disclosed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US disclosed
WO-2010111460-A1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2010-09-30 WO disclosed
EP-1110945-A2 Azocompounds for the antemortem diagnosis of Alzheimer's disease and in vivo imaging and prevention of amyloid deposition UNIVERSITY OF PITTSBURGH (US) 2001-06-27 EP disclosed
WO-1999024394-A9 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIV PITTSBURGH (US) 2001-05-31 WO disclosed
WO-2001014339-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-03-01 WO disclosed
CN-1285818-A Compounds for antemortem diagnosis and in vivo imaging of alzheimer's disease and prevention of amyloid deposition UNIV PITTSBURGH (US) 2001-02-28 CN disclosed
WO-2001005769-A2 FUNGICIDAL HETEROCYCLIC AROMATIC AMIDES AND THEIR COMPOSITIONS, METHODS OF USE AND PREPARATION DOW AGROSCIENCES LLC (US) 2001-01-25 WO disclosed
EP-1028941-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 2000-08-23 EP disclosed
WO-1999024394-A2 COMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1999-05-20 WO disclosed
CN-1189816-A Azocompounds for the antemortem diagnosis of alzheimer's disease and in vivo imaging and prevention of amyloid depositon UNIV PITTSBURGH (US) 1998-08-05 CN disclosed
EP-0823894-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1998-02-18 EP disclosed
WO-1996034853-A1 AZOCOMPOUNDS FOR THE ANTEMORTEM DIAGNOSIS OF ALZHEIMER'S DISEASE AND IN VIVO IMAGING AND PREVENTION OF AMYLOID DEPOSITION UNIVERSITY OF PITTSBURGH (US) 1996-11-07 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 (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-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG HCAR2 2564/4885KDM4E 1244/4885ALDH1A1 2365/4885

“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.