SCHEMBL1887804

SCHEMBL1887804

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 2/20 0.54
GPR119 Q8TDV5 5/20 0.48
HSD11B1 P28845 1/20 0.48
PARP1 P09874 1/20 0.45
HDAC1 Q13547 1/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
AR P10275 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.39
AKR1C3 P42330 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL30984738 1.00 MAPT (0.54) MAPTALDH1A1LMNAGPR119HSD11B1
SCHEMBL2718590 1.00 MAPT (0.54) MAPTALDH1A1LMNAGPR119HSD11B1
SCHEMBL31142623 0.84 GPR119 (0.51) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL30261871 0.84 GPR119 (0.53) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL1199630 0.84 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL23551511 0.84 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL15441789 0.84 GPR119 (0.53) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL1199629 0.84 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL1199627 0.84 GPR119 (0.50) GPR119HSD11B1PARP1HDAC1F13A1
SCHEMBL25899695 0.84 GPR119 (0.50) LMNAGPR119HSD11B1PARP1HDAC1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 WO disclosed
EP-4149939-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2023-03-22 EP disclosed
CN-115551850-A Small molecule inhibitors of galectin-3 百时美施贵宝公司 2022-12-30 CN disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-8012983-B2 Substituted triazolopyrazines useful for the treatment of degenerative and inflammatory diseases GALAPAGOS NV (BE) 2011-09-06 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
US-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2011-05-19 US disclosed
WO-2011054922-A1 SALTS OF FUSED PYRAZINE COMPOUNDS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES. GALAPAGOS NV (BE) 2011-05-12 WO disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-19 US disclosed
WO-2009135885-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-11-12 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 (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-20110118269-A1 FUSED PYRAZINE COMPOUNDS AS THEIR SALTS, USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, NLRP3 MAPT 392/4885ALDH1A1 874/4885LMNA 2810/4885
US-20090286798-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IL1B, IL1A, PTGER1 MAPT 855/4885ALDH1A1 960/4885LMNA 2057/4885

“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.