SCHEMBL4717161

SCHEMBL4717161

CC(C)(C)OC(=O)n1cccc1-c1cccc([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MAPT P10636 6/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALOX5 P09917 1/20 0.44
ALDH1A1 P00352 6/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.42
SLC6A4 P31645 1/20 0.40
NR3C2 P08235 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
PIK3R1 P27986 1/20 0.39
PIK3CA P42336 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL2942958 0.80 TP53 (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL2942959 0.80 TP53 (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL23213140 0.80 ALDH1A1 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALOX5
SCHEMBL29796135 0.80 ALDH1A1 (0.48) MAPTRAB9ANPC1SMN1; SMN2ALOX5
SCHEMBL2645099 0.80 HSP90AA1 (0.43) HSP90AA1HSP90AB1MAPTRAB9ANPC1
SCHEMBL30918979 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1MEN1KMT2APIK3R1
SCHEMBL978142 0.80 HSP90AA1 (0.55) HSP90AA1HSP90AB1MAPTRAB9ANPC1
SCHEMBL31226734 0.80 ALDH1A1 (0.45) MAPTRAB9ANPC1SMN1; SMN2ALOX5
SCHEMBL21296822 0.79 ALDH1A1 (0.44) MAPTRAB9ANPC1SMN1; SMN2ALOX5
SCHEMBL12450000 0.79 HSP90AA1 (0.52) HSP90AA1HSP90AB1PIK3R1PIK3CA

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
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 EP disclosed
US-12358869-B2 Diarylureas as CB1 allosteric modulators RESEARCH TRIANGLE INSTITUTE 2025-07-15 US disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 WO disclosed
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed
CN-110621656-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2019-12-27 CN disclosed
US-7622585-B2 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2009-11-24 US disclosed
EP-1490367-B1 IMIDAZOPYRIDINE DERIVATIVES AS KINASE INHIBITORS GLAXO GROUP LTD (GB) 2008-07-23 EP disclosed
US-7348339-B2 2-(4-amino-furazan-3-yl)-1-ethyl-N-[(2R)-2-morpholinylmethyl]-1H-imidazo[4,5-c]pyridine-7-carboxamide; Mitogen- and Stress-Activated Protein (MSK) and Rho (guanosine triphosphate) 1 or 2 kinase inhibitor; neurodegenerative diaeases; antiinflammatory, anticarcinogenic, antiviral and antibacterial agent GLAXO GROUP LIMITED (GB) 2008-03-25 US disclosed
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-09-08 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 (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-12358869-B2 Diarylureas as CB1 allosteric modulators CNR1, CNR2, GPR18 HSP90AA1 4045/4885HSP90AB1 3841/4885MAPT 2523/4885
US-20050197328-A1 Imidazopyridine derivatives as kinase inhibitors NR4A3, XDH, MAPK8 HSP90AA1 4549/4885HSP90AB1 4292/4885MAPT 4618/4885

“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.