SCHEMBL4084412

SCHEMBL4084412

O=C1OC(=O)c2cc([N+](=O)[O-])c(Br)c3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 10/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
STAT6 P42226 1/20 0.41
HIF1A Q16665 1/20 0.41
PHLPP2 Q6ZVD8 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 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
SCHEMBL29665023 1.00 TYMS (0.44) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL7709612 0.82 TYMS (0.51) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL28008397 0.81 NPSR1 (0.47) MEN1NPC1RAB9AKMT2AALDH1A1
SCHEMBL30582767 0.80 MEN1 (0.65) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL1892650 0.80 MEN1 (0.65) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL1133994 0.79 TYMS (0.44) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL9079255 0.78 TYMS (0.47) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL7703726 0.77 S100A4 (0.44) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL7709761 0.76 ALDH1A1 (0.60) TYMSMEN1NPC1RAB9AKMT2A
SCHEMBL13618356 0.76 MEN1 (0.39) TYMSMEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110283163-B 4-tert-butyloxycarbonylpiperazine-3-nitro-1, 8-naphthalimide derivative and synthetic method and application thereof 桂林医学院 2023-03-14 CN claimed
CN-110194741-B 4-benzoyl piperazine-3-nitro-1, 8-naphthalimide derivative and preparation method and application thereof 桂林医学院 2022-09-09 CN claimed
CN-110283123-B 4-p-toluenesulfonyl piperazine-3-nitro-1, 8-naphthalimide derivative and synthesis method and application thereof 桂林医学院 2022-06-17 CN claimed
CN-110272388-B 4-dithioformic acid piperazine-3-nitro-1, 8-naphthalimide derivative and synthesis method and application thereof 桂林医学院 2022-06-17 CN claimed
CN-110283163-B 4-tert-butyloxycarbonylpiperazine-3-nitro-1, 8-naphthalimide derivative and synthetic method and application thereof 桂林医学院 2023-03-14 CN disclosed
CN-110283163-B 4-tert-butyloxycarbonylpiperazine-3-nitro-1, 8-naphthalimide derivative and synthetic method and application thereof 桂林医学院 2023-03-14 CN disclosed
CN-110194741-B 4-benzoyl piperazine-3-nitro-1, 8-naphthalimide derivative and preparation method and application thereof 桂林医学院 2022-09-09 CN disclosed
CN-110194741-B 4-benzoyl piperazine-3-nitro-1, 8-naphthalimide derivative and preparation method and application thereof 桂林医学院 2022-09-09 CN disclosed
CN-114702509-A Benzothienonaphthalimide derivative and synthesis process and application thereof 浙江工业大学 2022-07-05 CN disclosed
CN-110283123-B 4-p-toluenesulfonyl piperazine-3-nitro-1, 8-naphthalimide derivative and synthesis method and application thereof 桂林医学院 2022-06-17 CN disclosed
CN-110272388-B 4-dithioformic acid piperazine-3-nitro-1, 8-naphthalimide derivative and synthesis method and application thereof 桂林医学院 2022-06-17 CN disclosed
CN-110317171-B 4-dithioformic acid piperazine-1, 8-naphthalimide derivative and preparation method and application thereof 桂林医学院 2022-06-17 CN disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-7541463-B2 Sulfur-containing naphthalimide derivatives EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2009-06-02 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP disclosed
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES QIAN XUHONG 2008-09-25 US disclosed
US-20060111367-A1 Sulfur-containing naphthalimide derivatives SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCE (CN) 2006-05-25 US disclosed
EP-1626050-A1 SULFUR-CONTAINING NAPHTHOYLIMIDE DERIVATIVES East China University of Science and Technology (CN) 2006-02-15 EP 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 (3 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-20060111367-A1 Sulfur-containing naphthalimide derivatives HCCS, SQOR, MKI67 TYMS 631/4885MEN1 3613/4885NPC1 3188/4885
US-20080234287-A1 SULFUR-CONTAINING NAPHTHALIMIDE DERIVATIVES HCCS, SQOR, MKI67 TYMS 631/4885MEN1 3613/4885NPC1 3188/4885
US-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 TYMS 3232/4885MEN1 4381/4885NPC1 436/4885

“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.