SCHEMBL12643294

SCHEMBL12643294

O=[N+]([O-])c1cccc(C2=NCCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 9/20 0.58
MAOB P27338 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADRA2A P08913 3/20 0.53
ADRA2B P18089 3/20 0.53
ADRA2C P18825 3/20 0.53
ACHE P22303 1/20 0.52
NPY5R Q15761 1/20 0.50
IDO1 P14902 1/20 0.48

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
SCHEMBL29755942 1.00 NISCH (0.58) NISCHMAOBLMNASMN1; SMN2ADRA2A
Hydrochloric Acid SCHEMBL2491030 0.98 NISCH (0.56) NISCHMAOBLMNASMN1; SMN2ADRA2A
SCHEMBL8188936 0.93 NISCH (0.58) NISCHMAOBLMNASMN1; SMN2ADRA2A
SCHEMBL3858563 0.91 NISCH (0.55) NISCHMAOBLMNASMN1; SMN2ADRA2A
SCHEMBL12870242 0.84 ACHE (0.77) LMNASMN1; SMN2ACHE
Hydrochloric Acid SCHEMBL1143150 0.83 ACHE (0.76) LMNASMN1; SMN2ACHE
SCHEMBL771657 0.81 NISCH (0.56) NISCHLMNA
SCHEMBL9189709 0.80 NISCH (0.85) NISCHMAOBACHE
SCHEMBL16204314 0.79 ACHE (0.77) LMNASMN1; SMN2ACHE
Hydrochloric Acid SCHEMBL7738650 0.79 ADRA2A (0.53) NISCHMAOBLMNASMN1; SMN2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813551-A Preparation method of imidazole phenylurea dipropionate 齐鲁晟华制药有限公司 2023-09-29 CN claimed
CN-116621781-A Preparation method of 2- (3-nitrophenyl) -4, 5-dihydro-1H-imidazoline 济南鸿湾生物技术有限公司 2023-08-22 CN claimed
CN-114773270-A Production and preparation method of imidocarb dipropionate 山东省药学科学院 2022-07-22 CN claimed
CN-111574455-A Preparation method of imidocarb dipropionate and intermediate thereof 山东省药学科学院 2020-08-25 CN claimed
CN-117466818-B Method for preparing 2-aryl imidazoline compounds by solvent-free method 潍坊弘润新材料有限公司 2024-04-26 CN disclosed
CN-114671810-B Preparation method of imidazole phenylurea 济南鸿湾生物技术有限公司 2024-03-22 CN disclosed
CN-117720469-A Preparation method and application of asymmetric urea micromolecule compound and derivative 西南大学 2024-03-19 CN disclosed
CN-117466818-A Method for preparing 2-aryl imidazoline compounds by solvent-free method 潍坊弘润新材料有限公司 2024-01-30 CN disclosed
CN-116813551-A Preparation method of imidazole phenylurea dipropionate 齐鲁晟华制药有限公司 2023-09-29 CN disclosed
CN-116621781-A Preparation method of 2- (3-nitrophenyl) -4, 5-dihydro-1H-imidazoline 济南鸿湾生物技术有限公司 2023-08-22 CN disclosed
CN-116621781-A Preparation method of 2- (3-nitrophenyl) -4, 5-dihydro-1H-imidazoline 济南鸿湾生物技术有限公司 2023-08-22 CN disclosed
CN-116621781-A Preparation method of 2- (3-nitrophenyl) -4, 5-dihydro-1H-imidazoline 济南鸿湾生物技术有限公司 2023-08-22 CN disclosed
CN-103896843-A Preparation method of imidocarb SHANDONG JIULONG FINE CHEMICAL CO LTD 2014-07-02 CN disclosed
CN-102924380-A Preparation method of imidocarb QILU ANIMAL HEALTH PRODUCTS CO 2013-02-13 CN disclosed
EP-2327677-A1 Mono-nitration of aromatic compounds F. Hoffmann-La Roche AG (CH) 2011-06-01 EP disclosed
US-7429589-B2 Mono-nitration of aromatic compounds via nitrate salts HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
US-7429589-B2 Mono-nitration of aromatic compounds via nitrate salts HOFFMANN-LA ROCHE INC. (US) 2008-09-30 US disclosed
WO-2007125034-A2 MONO-NITRATION OF AROMATIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-08 WO disclosed
US-20070255057-A1 Mono-nitration of aromatic compounds via nitrate salts CEDILOTE MIALL 2007-11-01 US disclosed
US-20070255057-A1 Mono-nitration of aromatic compounds via nitrate salts CEDILOTE MIALL 2007-11-01 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 (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-20070255057-A1 Mono-nitration of aromatic compounds via nitrate salts NOS2, NOS3, NOS1 NISCH 20/4885MAOB 29/4885LMNA 3223/4885

“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.