SCHEMBL41111

SCHEMBL41111

NC(=O)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.56
ADRA2B P18089 2/20 0.56
ADRA2C P18825 2/20 0.56
TSHR P16473 2/20 0.53
GAA P10253 2/20 0.50
CYP1A2 P05177 1/20 0.50
LMNA P02545 4/20 0.49
CYP2C19 P33261 1/20 0.47
SLC2A1 P11166 1/20 0.47
KMT2A Q03164 3/20 0.47
P4HTM Q9NXG6 1/20 0.46
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIRT6 Q8N6T7 1/20 0.44
MAPT P10636 5/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
Methane SCHEMBL28217937 0.98 ADRA2A (0.54) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL6889818 0.84 ADRA2A (0.54) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL1403645 0.83 P4HTM (0.61) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL9098551 0.83 P4HTM (0.61) ADRA2AADRA2BADRA2CGAACYP1A2
Hydrochloric Acid SCHEMBL28862169 0.81 P4HTM (0.60) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL5326143 0.81 ALDH1A1 (0.53) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL6163873 0.81 CYP1A2 (0.58) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL18160680 0.81 CYP2C19 (0.48) ADRA2AADRA2BADRA2CTSHRGAA
SCHEMBL22134468 0.81 GAA (0.50) ADRA2AADRA2BADRA2CGAACYP1A2
SCHEMBL27722370 0.81 ADRA2A (0.51) ADRA2AADRA2BADRA2CTSHRGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4036886-A FROM A PHENYL ALKENYL BROMIDE AND LITHIUM SALT OF A SCHIFF BASE OF ACETALDEHYDE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-07-19 US claimed
US-20250282748-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2025-09-11 US disclosed
CN-113292539-B Substituted oxopyridine derivatives 拜耳制药股份公司 2023-12-22 CN disclosed
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2023-09-07 US disclosed
US-20230024752-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-20230024752-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
US-11180471-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-11-23 US disclosed
US-11180471-B2 Substituted oxopyridine derivatives BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-11-23 US disclosed
CN-113292539-A Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-24 CN disclosed
CN-108026072-B Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-17 CN disclosed
EP-2447252-A2 Theramutein modulators Housey, Gerard M. (US) 2012-05-02 EP disclosed
WO-2012003576-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Université de Montréal (CA) 2012-01-12 WO disclosed
US-20100016298-A1 Theramutein modulators HOUSEY GERAD M 2010-01-21 US disclosed
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees HMI MEDICAL INNOVATIONS, LLC. 2008-10-30 US disclosed
WO-2008091681-A2 THERAMUTEIN MODULATORS HOUSEY GERARD M (US) 2008-07-31 WO disclosed
WO-2007062213-A2 COMPOUNDS AND METHODS OF IDENTIFYING, SYNTHESIZING, OPTIMIZING AND PROFILING PROTEIN MODULATORS HOUSEY PHARMACEUTICALS INC (US) 2007-05-31 WO disclosed
US-20070111199-A1 Compounds and method of identifying, synthesizing, optimizing and profiling protein modulators HMI Medical Innovations, LLC 2007-05-17 US disclosed
WO-2007037898-A2 THERAMUTEIN MODULATORS HOUSEY PHARMACEUTICALS INC (US) 2007-04-05 WO disclosed
US-4053608-A 3-NITROPYRIDINE CARBOXAMIDES, POULTRY FEED SANKYO COMPANY LIMITED (JA) 1977-10-11 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 (6 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-20100016298-A1 Theramutein modulators TSG101, SERPINE1, PLAUR ADRA2A 2675/4885ADRA2B 2657/4885ADRA2C 3196/4885
US-20230278965-A1 NOVEL CARBONOHYDRAZONOYL DICYANIDE COMPOUNDS COMPRISING 2 OR MORE ARYL OR HETEROARYL CONNECTED VIA LINKER AND USE THEREOF AADAC, CBR3, MTCL3 ADRA2A 3487/4885ADRA2B 3193/4885ADRA2C 2918/4885
US-11180471-B2 Substituted oxopyridine derivatives OGFOD1, VASP, PNPO ADRA2A 1625/4885ADRA2B 1444/4885ADRA2C 1526/4885
US-20250282748-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO ADRA2A 1625/4885ADRA2B 1444/4885ADRA2C 1526/4885
US-20230024752-A1 SUBSTITUTED OXOPYRIDINE DERIVATIVES OGFOD1, VASP, PNPO ADRA2A 1625/4885ADRA2B 1444/4885ADRA2C 1526/4885
US-20080269262-A1 Blocking or activation of endogenous proteins variations rncoded by mutated gees SERBP1, SERPINA6, UBE2V1 ADRA2A 3084/4885ADRA2B 2224/4885ADRA2C 2316/4885

“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.