SCHEMBL87044

SCHEMBL87044

O=C(Nc1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
PPIA P62937 2/20 0.60
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
MAPT P10636 3/20 0.56
TP53 P04637 1/20 0.56
MITF O75030 1/20 0.56
PPIF P30405 1/20 0.56
MAOA P21397 3/20 0.55
MAOB P27338 3/20 0.55
KDM1A O60341 2/20 0.55
MGLL Q99685 1/20 0.55
ROCK2 O75116 1/20 0.54
RCOR1 Q9UKL0 1/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL10490780 0.94 KMT2A (0.59) POLBPPIAMEN1KMT2ANPC1
SCHEMBL3048489 0.89 ALDH1A1 (0.57) PPIAMEN1KMT2ANPC1RAB9A
SCHEMBL10639177 0.88 MEN1 (0.63) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL28915066 0.86 MEN1 (0.68) POLBPPIAMEN1KMT2ANPC1
SCHEMBL94347 0.86 ALDH1A1 (0.55) PPIAMEN1KMT2ANPC1RAB9A
SCHEMBL28362194 0.86 POLB (0.62) POLBPPIAMEN1KMT2ANPC1
SCHEMBL5675541 0.85 ALDH1A1 (0.57) PPIAMEN1KMT2AMAPTPPIF
SCHEMBL13915753 0.85 ALDH1A1 (0.67) POLBPPIAMEN1KMT2ANPC1
SCHEMBL8867503 0.85 ALDH1A1 (0.54) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8867506 0.85 TSHR (0.60) MEN1KMT2ANPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115477634-B Analgesic compounds and medical uses thereof 中国人民解放军军事科学院军事医学研究院 2024-02-13 CN disclosed
CN-115477634-A Compound for analgesia and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-12-16 CN disclosed
WO-2022253035-A1 ANTIBODY DRUG CONJUGATE, AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2022-12-08 WO disclosed
CN-112159401-A Biased agonist and medical application thereof 中国人民解放军军事科学院军事医学研究院 2021-01-01 CN disclosed
US-20170246627-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-08-31 US disclosed
US-20170246627-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2017-08-31 US disclosed
WO-2016036658-A1 DIAGNOSTIC DEVICES WITH MODIFIABLE HYDROPHOBIC SURFACES SIEMENS HEALTHCARE DIAGNOSTICS INC. (US) 2016-03-10 WO disclosed
EP-1526132-B1 Substituted oxazolidinone derivatives and their use as factor xa inhibitors BAYER IP GMBH (DE) 2014-03-12 EP disclosed
US-8129378-B2 Rivaroxaban and derivatives, synthesis; atherosclerosis; arthritis; Alzheimer's disease or cancer BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-06 US disclosed
US-20100267685-A1 Methods For The Prophylaxis And/or Treatment Of Thromboembolic Disorders By Combination Therapy With Substituted Oxazolidinones BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-21 US disclosed
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders BAYER HEALTHCARE AG 2008-12-11 US disclosed
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER HEALTHCARE AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
WO-2008052671-A2 COMBINATION THERAPY OF SUBSTITUTED OXAZOLIDINONES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-05-08 WO disclosed
US-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-04-17 US disclosed
WO-2007039134-A1 COMBINATION THERAPY COMPRISING SUBSTITUTED OXAZOLIDINONES FOR THE PREVENTION AND TREATMENT OF CEREBRAL CIRCULATORY DISORDERS BAYER HEALTHCARE AG (DE) 2007-04-12 WO disclosed
US-7157456-B2 Anticoagulates for treating cardiovascular disorders, such as myocardial infarct, angina pectoris, restenoses after angioplasty, bypass, stroke; treatment of atherosclerosis, arthritis, Alzheimer's disease or cancer BAYER HEALTHCARE AG (DE) 2007-01-02 US disclosed
WO-2003000256-A1 SUBSTITUTED OXAZOLIDINONES FOR COMBINATIONAL THERAPY BAYER HEALTHCARE AG (DE) 2003-01-03 WO disclosed
US-5190862-A Peptide modified compound BOEHRINGER MANNHEIM GMBH (DE) 1993-03-02 US disclosed
US-5108890-A Diagnostic agents for determining peptide bond-cleaving enzymes; measuring light absorbed by liberated colored materials BOEHRINGER MANNHEIM GMBH (DE) 1992-04-28 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 (4 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-20080090815-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B POLB 1473/4885PPIA 391/4885MEN1 2299/4885
US-20080306070-A1 Combination Therapy Comprising Substituted Oxazolidinones for the Prevention and Treatment of Cerebral Circulatory Disorders OTC, SDHA, SDHB POLB 1709/4885PPIA 531/4885MEN1 1665/4885
US-20080200674-A1 SUBSTITUTED OXAZOLIDINONES AND THEIR USE IN THE FIELD OF BLOOD COAGULATION F2, F11, F13B POLB 1473/4885PPIA 391/4885MEN1 2299/4885
US-20100267685-A1 Methods For The Prophylaxis And/or Treatment Of Thromboembolic Disorders By Combination Therapy With Substituted Oxazolidinones SERPINC1, SDHB, F2 POLB 697/4885PPIA 176/4885MEN1 832/4885

“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.