Sugi Predict

Sugi Predict / Compounds / SCHEMBL3069141

SCHEMBL3069141

SCHEMBL3069141

C[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.58
▸ LMNA P02545 3/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ ALDH1A1 P00352 7/20 0.56
▸ NPC1 O15118 2/20 0.55
▸ PHGDH O43175 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 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
SCHEMBL3057546 1.00 ALOX5 (0.58) ALOX5LMNAMEN1KMT2AMAPT
SCHEMBL3057548 1.00 ALOX5 (0.58) ALOX5LMNAMEN1KMT2AMAPT
SCHEMBL13229683 0.90 GAA (0.57) ALOX5LMNAMEN1KMT2AMAPT
Dinitrophenylene SCHEMBL27967039 0.89 ALDH1A1 (0.59) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL31546679 0.89 ALDH1A1 (0.63) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL31546622 0.89 ALDH1A1 (0.63) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL30723733 0.88 GPR139 (0.51) ALOX5LMNAMEN1KMT2AMAPT
SCHEMBL10763115 0.87 NPC1 (0.65) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL10763104 0.87 NPC1 (0.65) LMNAMEN1KMT2AMAPTALDH1A1
SCHEMBL10768107 0.87 NPC1 (0.65) LMNAMEN1KMT2AMAPTALDH1A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250135005-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES TAMBO INC (US) 2025-05-01 — — US disclosed
US-12194100-B2 Processes for preparing functionalized cyclooctenes TAMBO, INC. (US) 2025-01-14 — — US disclosed
US-20210346502-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES TAMBO INC (US) 2021-11-11 — — US disclosed
CN-113473975-A Process for preparing functionalized cyclooctenes 坦博公司 2021-10-01 — — CN disclosed
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 — — US disclosed
US-7745665-B2 Substituted phenethylamines AUSPEX PHARMACEUTICALS, INC. (US) 2010-06-29 — — US disclosed
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-13 — — US disclosed
US-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors AUSPEX PHARMACEUTICALS, INC. (US) 2008-12-04 — — US disclosed
US-6334988-B1 HEATING MINERAL ACID SUCH AS HYDROCHLORIC ACID, INORGANIC OXIDE SOURCE SUCH AS TETRAETHOXYSILANE, SURFACTANT SUCH AS CETYLTRIMETHLYAMMONIUM BROMIDE THE UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE 2002-01-01 — — US disclosed
WO-2000010916-A1 MESOPOROUS SILICATES AND METHOD OF MAKING SAME UNIVERSITY OF VERMONT AND STATE AGRICULTURAL COLLEGE (US) 2000-03-02 — — WO disclosed
EP-0270095-B1 PACKING MATERIAL FOR LIQUID CHROMATOGRAPHY Tosoh Corporation (JP) 1991-11-13 — — EP disclosed
US-4830921-A RESOLUTION OF RACEMIC MIXTURES TOSOH CORPORATION (JP) 1989-05-16 — — US disclosed
EP-0270095-A2 Packing material for liquid chromatography Tosoh Corporation (JP) 1988-06-08 — — EP disclosed
EP-0105745-B1 PACKING MATERIALS FOR CHROMATOGRAPHIC USE AND THEIR EMPLOYMENT IN ANALYSING ENANTIOMERIC MIXTURES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1987-12-16 — — EP disclosed
US-4512898-A ORGANOSILANE DERIVATIVES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-04-23 — — 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-20080300316-A1 isotopically enriched phenylephrine derivatives, used for the treatment and/or management of nasal congestion, headaches, asthma, chronic obstructive pulmonary diseases, ischemia, hypotension, and/or any disorder ameliorated by modulating alpha-adrenergic receptors ADRB1, ADRB2, ADRA1A ALOX5 1028/4885LMNA 2092/4885MEN1 1715/4885
US-12194100-B2 Processes for preparing functionalized cyclooctenes PPOX, SCO2, CYCS ALOX5 26/4885LMNA 3000/4885MEN1 2903/4885
US-20090203763-A1 SUBSTITUTED BENZHYDRYLETHERS UGT2B7, CYP3A7, CYP3A43 ALOX5 2664/4885LMNA 1302/4885MEN1 1525/4885
US-20210346502-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES PPOX, SCO2, CYCS ALOX5 26/4885LMNA 3000/4885MEN1 2903/4885
US-20250135005-A1 PROCESSES FOR PREPARING FUNCTIONALIZED CYCLOOCTENES PPOX, SCO2, CYCS ALOX5 26/4885LMNA 3000/4885MEN1 2903/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 ALOX5 2574/4885LMNA 1424/4885MEN1 2284/4885

“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.