SCHEMBL4163474

SCHEMBL4163474

O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.79
▸ MEN1 O00255 5/20 0.79
▸ KMT2A Q03164 5/20 0.79
▸ ALDH1A1 P00352 7/20 0.63
▸ MAPK1 P28482 2/20 0.63
▸ GAA P10253 1/20 0.63
▸ PKM P14618 1/20 0.63
▸ HPGD P15428 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ HTT P42858 2/20 0.58
▸ ACHE P22303 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ LMNA P02545 4/20 0.53
▸ GFER P55789 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CES1 P23141 1/20 0.50
▸ PTGIR P43119 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50

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
SCHEMBL3328543 1.00 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934655 0.97 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
Fluoride SCHEMBL29135589 0.97 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934649 0.97 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL5140929 0.93 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL2818369 0.93 MAPT (0.70) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL268150 0.91 MEN1 (0.68) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6198840 0.89 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL11302349 0.89 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL1713212 0.89 MAPT (1.00) MAPTMEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117105829-A Chlorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 — — CN claimed
CN-117105830-A Fluorination method of p-nitrophenyl methyl sulfide 江苏永创医药科技股份有限公司 2023-11-24 — — CN claimed
CN-110702858-A Method for testing deodorization effect of super absorbent resin 宜兴丹森科技有限公司 2020-01-17 — — CN claimed
EP-0019712-A1 Process for partial reduction of polynitrodiaryl compounds BAYER AG (DE) 1980-12-10 — — EP claimed
JP-57126982-A — — None — — JP disclosed
CN-115354350-B Method for in-situ nitration of electrocatalytic halogenated aromatic hydrocarbon 平顶山学院 2025-02-25 — — CN disclosed
CN-118724774-A N-O bond guanidine compound, preparation method and application thereof 中国科学院上海有机化学研究所 2024-10-01 — — CN disclosed
US-20240165259-A1 BIOORTHOGONAL REACTION SUITABLE FOR CLICK/UNCLICK APPLICATIONS DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-05-23 — — US disclosed
CN-117899873-A Transition metal catalyst and preparation method and application thereof 厦门大学 2024-04-19 — — CN disclosed
CN-114478150-B S-deuterated methyl-aryl sulfonyl thioester compound and synthetic method and application thereof 浙江工业大学 2024-04-09 — — CN disclosed
CN-113999149-B Preparation method for synthesizing diaryl sulfide compound based on L-cysteine 沈阳药科大学 2024-04-02 — — CN disclosed
CN-114163366-B Preparation method of 4,4' -diamino diphenyl sulfone 河北建新化工股份有限公司 2024-03-22 — — CN disclosed
US-4170708-A FROM AN AROMATIC NITRO COMPOUND, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-10-09 — — US disclosed
EP-0000563-A1 Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS, Inc. (JP) 1979-02-07 — — EP disclosed
US-4134880-A Process for producing an aromatic urethane from nitro compounds, hydroxyl compounds and carbon monoxide using metal-Lewis acid-ammonia catalyst systems MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-01-16 — — US disclosed
US-4080365-A Process for preparing aromatic urethanes MITSUI TOATSU CHEMICALS (JA) 1978-03-21 — — US disclosed
US-4070391-A Process for producing isocyanate from nitro compounds and carbon monoxide using rhodium oxide catalysts ETHYL CORPORATION (US) 1978-01-24 — — US disclosed
US-4052437-A PROCESS FOR PRODUCING URETHANE FROM NITRO COMPOUNDS, HYDROXYL COMPOUNDS AND CARBON MONOXIDE USING RHODIUM OXIDE CATALYSTS ETHYL CORPORATION (US) 1977-10-04 — — US disclosed
US-4005150-A Phenyl ethers having juvenile hormone activity CESKOSLOVENSKA AKADEMIE VED (CS) 1977-01-25 — — US disclosed
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 — — 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-20240165259-A1 BIOORTHOGONAL REACTION SUITABLE FOR CLICK/UNCLICK APPLICATIONS CILK1, SYMPK, DCK MAPT 3211/4885MEN1 1370/4885KMT2A 3829/4885

“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.

Send feedback