SCHEMBL8038703

SCHEMBL8038703

CC(=O)C(=Cc1ccccc1[N+](=O)[O-])C(C)=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
NPSR1 Q6W5P4 1/20 0.71
GLO1 Q04760 2/20 0.54
MAOB P27338 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 3/20 0.49
ATM Q13315 2/20 0.49
GPR35 Q9HC97 1/20 0.49
ERN1 O75460 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
AR P10275 1/20 0.46
LMNA P02545 2/20 0.46
HSP90AA1 P07900 1/20 0.46

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
SCHEMBL4608086 0.92 MAPT (0.66) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL9475614 0.92 MAPT (0.66) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL4608089 0.92 MAPT (0.66) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL4608087 0.92 MAPT (0.66) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL7250786 0.91 MAPT (0.64) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL8464899 0.88 MAPT (0.61) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL3131441 0.88 MAPT (0.89) MAPTNPSR1GLO1ALDH1A1RAB9A
SCHEMBL8464902 0.88 MAPT (0.61) MAPTNPSR1GLO1MAOBALDH1A1
SCHEMBL3131439 0.88 MAPT (0.89) MAPTNPSR1GLO1ALDH1A1RAB9A
SCHEMBL10386660 0.84 MAPT (0.64) MAPTNPSR1GLO1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0440324-B1 Substituted beta-diketones and their use in the treatment of inflammatory bowel disease ORION YHTYMAE OY (FI) 2000-04-12 EP claimed
US-5877210-A CONTROLLING IMMUNE RESPONSE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-02 US claimed
US-5583242-A VANADYL COMPLEXES BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-10 US claimed
US-5565491-A FOR TREATMENT OF DISEASES MARKED BY MALIGNANT PROLIFERATION OF B CELLS, SUCH AS LEUKEMIA AND LYMPHOMAS; ANTICARCINOGENIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-15 US claimed
EP-0440324-A2 Substituted beta-diketones and their use ORION-YHTYMÀ„ OY (FI) 1991-08-07 EP claimed
US-20230241078-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2023-08-03 US disclosed
US-20200246352-A1 Vanadyl and vanadate for use in reducing stress-induced metabolic derangement CFM PHARMA HOLDING B.V. (NL) 2020-08-06 US disclosed
EP-3684352-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM Pharma Holding BV (NL) 2020-07-29 EP disclosed
WO-2019059770-A1 VANADYL AND VANADATE FOR USE IN REDUCING STRESS -INDUCED METABOLIC DERANGEMENT CFM PHARMA HOLDING B.V. (NL) 2019-03-28 WO disclosed
US-20150335628-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES NEKTAR THERAPEUTICS 2015-11-26 US disclosed
US-9132200-B2 Oligomer-calcium channel blocker conjugates NEKTAR THERAPEUTICS (US) 2015-09-15 US disclosed
US-20140323529-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES NEKTAR THERAPEUTICS (US) 2014-10-30 US disclosed
US-3959292-A HYPOTENSIVE AGENTS, CORONARY DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-05-25 US disclosed
US-3951994-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3951988-A HYPOTENSIVE, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-04-20 US disclosed
US-3948923-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US disclosed
US-3946026-A HYPOTENSIVE AGENTS, CORONARY VESSEL DILATORS BAYER AKTIENGESELLSCHAFT (DT) 1976-03-23 US disclosed
US-3939171-A HYPOTENSIVE, VASODILATION BAYER AKTIENGESELLSCHAFT (DT) 1976-02-17 US disclosed
US-3935220-A VASODILATION, HYPOTENSIVE BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 US disclosed
US-3935223-A 2-Amino-1,4-dihydropyridine derivatives BAYER AKTIENGESELLSCHAFT (DT) 1976-01-27 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 (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-20150335628-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES ORAI1, CACNB2, CACNA1B MAPT 292/4885NPSR1 682/4885GLO1 1121/4885
US-20140323529-A1 OLIGOMER-CALCIUM CHANNEL BLOCKER CONJUGATES ORAI1, CACNB2, CACNA1B MAPT 292/4885NPSR1 682/4885GLO1 1121/4885

“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.