SCHEMBL116229

SCHEMBL116229

Nc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
LMNA P02545 3/20 0.53
ADRA2A P08913 2/20 0.53
ADRA2B P18089 2/20 0.53
ADRA2C P18825 2/20 0.53
ALDH1A1 P00352 4/20 0.52
SLC2A1 P11166 1/20 0.49
HPGD P15428 2/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 3/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP2C19 P33261 2/20 0.46
KDM4E B2RXH2 1/20 0.46
AGTR1 P30556 1/20 0.46
CYP3A4 P08684 1/20 0.46
APP P05067 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL3024397 1.00 MAPT (0.53) MAPTLMNAADRA2AADRA2BADRA2C
Methane SCHEMBL28159882 0.98 MAPT (0.52) MAPTLMNAADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL8872527 0.98 ADRA2A (0.54) MAPTLMNAADRA2AADRA2BADRA2C
Acetone SCHEMBL28243789 0.91 CYP1A2 (0.57) MAPTLMNAADRA2AADRA2BADRA2C
Phosphoric Acid SCHEMBL8529442 0.91 ADRA2A (0.50) MAPTLMNAADRA2AADRA2BADRA2C
Phosphoric Acid SCHEMBL9079479 0.88 ADRA2A (0.47) MAPTLMNAADRA2AADRA2BADRA2C
Cadaverine Tartrate SCHEMBL28586029 0.85 ADRA2A (0.45) MAPTLMNAADRA2AADRA2BADRA2C
Cadaverine Tartrate SCHEMBL28598769 0.85 ADRA2A (0.45) MAPTLMNAADRA2AADRA2BADRA2C
SCHEMBL19461607 0.84 MAPT (0.71) MAPTLMNAALDH1A1KMT2AMEN1
SCHEMBL25336501 0.83 IDO1 (0.42) MAPTLMNAADRA2AADRA2BADRA2C

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 1489 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116354900-B Chlorothiazole compound containing maleic acid structure, and preparation method and application thereof 中国农业大学 2024-03-12 CN claimed
CN-117024408-A 1,2, 3-triaryl substituted benzo [ f ] isoindole-4, 9-dione compound and preparation method and application thereof 湘潭大学 2023-11-10 CN claimed
US-11771087-B2 Preparation method of antibacterial deodorizing modified fiber for water purification Beijing Hongming XinDa Technology Co., Ltd. (CN) 2023-10-03 US claimed
CN-116354900-A Chlorothiazole compound containing maleic acid structure, and preparation method and application thereof 中国农业大学 2023-06-30 CN claimed
CN-116178250-A Method for preparing 2-amino-5-nitropyridine by utilizing microchannel reactor 山东特创新材料科技有限公司 2023-05-30 CN claimed
CN-115591494-A System and method for continuously preparing medical intermediate 2-amino-5-nitropyridine by using microreactor 中国科学院大连化学物理研究所(CN) 2023-01-13 CN claimed
CN-113372062-B Supporting pile for improving corrosion resistance and construction process thereof 广东北方基础建筑有限公司 2022-09-20 CN claimed
CN-111153933-B Bactericide for polymer-containing sewage in oil field and preparation method thereof 中国石油化工股份有限公司 2022-08-02 CN claimed
CN-114437067-A Pabociclib impurity and preparation method thereof 济南百舟生物科技有限公司 2022-05-06 CN claimed
CN-111302427-B Preparation method of antibacterial and deodorant modified fiber for water purification 新昌县以琳环保科技有限公司 2021-11-02 CN claimed
EP-0596491-A1 Method for halogenating an aromatic compound ISHIHARA SANGYO KAISHA, LTD. (JP) 1994-05-11 EP claimed
CN-1024373-C Infrared band laser detection board for organic frequency doubling material CHINESE ACAD INST CHEMISTRY (CN) 1994-04-27 CN claimed
EP-0570250-A2 Crystalline structure of monohydrogentartrates, process for its preparation and application thereof FRANCE TELECOM (FR) 1993-11-18 EP claimed
CN-1064937-A INFRARED BAND LASER DETECTING BOARD FOR ORGANIC DOUBLE-FREQUENCY MATERIAL CHEMICAL INST CHINESE ACADEMY (CN) 1992-09-30 CN claimed
EP-0488869-A1 Salts of 2-amino-5-nitropyridinium for non-linear and electro-optic use, and a process for their preparation FRANCE TELECOM (FR) 1992-06-03 EP claimed
CN-1012576-B Process for preparing carboxanilides AIR PROD & CHEM (US) 1991-05-08 CN claimed
EP-0201193-B1 CARBOXANILIDES AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-10-24 EP claimed
CN-86102271-A Process for preparing carboxanilides 1986-12-03 CN claimed
EP-0201193-A2 Carboxanilides AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-11-12 EP claimed
US-3933498-A Fogged, direct positive silver halide emulsions containing a bleach inhibiting compound and a Dmin maintainer compound E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-11771087-B2 Preparation method of antibacterial deodorizing modified fiber for water purification DAO, ALAD, QDPR MAPT 2473/4885LMNA 3851/4885ADRA2A 3911/4885

“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.