Sugi Predict

Sugi Predict / Compounds / SCHEMBL6738366

SCHEMBL6738366

SCHEMBL6738366

O=[N+]([O-])c1cccc(-c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.76
▸ LMNA P02545 2/20 0.76
▸ ALDH1A1 P00352 5/20 0.61
▸ ACHE P22303 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ ALOX15 P16050 1/20 0.61
▸ MAPT P10636 3/20 0.61
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HSP90AA1 P07900 1/20 0.59
▸ IDO1 P14902 1/20 0.58
▸ GAA P10253 2/20 0.57
▸ KMT2A Q03164 2/20 0.57
▸ PGR P06401 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ CES2 O00748 1/20 0.57
▸ CES1 P23141 1/20 0.57
▸ CYP19A1 P11511 1/20 0.56
▸ MEN1 O00255 1/20 0.56

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
SCHEMBL28471286 0.98 TSHR (0.73) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11392461 0.98 TSHR (0.73) TSHRLMNAALDH1A1ACHETDP1
Iodide SCHEMBL28598177 0.98 TSHR (0.73) TSHRLMNAALDH1A1ACHETDP1
Iodide SCHEMBL30804629 0.98 TSHR (0.73) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL11392466 0.98 TSHR (0.73) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL2009026 0.93 TSHR (0.67) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL29526232 0.93 TSHR (0.67) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL4516641 0.91 TSHR (0.64) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL30469335 0.91 TSHR (0.64) TSHRLMNAALDH1A1ACHETDP1
SCHEMBL7838339 0.91 LMNA (0.64) TSHRLMNAALDH1A1ACHETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0212823-B1 PURIFICATION PROCESS OF 3,3'-DINITRODIPHENYL COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-07 — — EP claimed
US-4724268-A REACTING ORTHO AND PARA ISOMERS WITH ALCOHOL IN PRESENCE OF BASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-02-09 — — US claimed
EP-0212823-A1 Purification process of 3,3'-dinitrodiphenyl compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-03-04 — — EP claimed
EP-3046902-B1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LTD (AU) 2018-08-08 — — EP disclosed
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 — — US disclosed
US-9682950-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide synthase inhibitors NORTHWESTERN UNIVERSITY (US) 2017-06-20 — — US disclosed
US-9630935-B2 Compositions for the treatment of hypertension and/or fibrosis VECTUS BIOSYSTEMS LIMITED (AU) 2017-04-25 — — US disclosed
US-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS VECTUS BIOSYSTEMS LIMITED (AU) 2016-09-29 — — US disclosed
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-06-02 — — US disclosed
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NORTHWESTERN UNIVERSITY 2016-06-02 — — US disclosed
US-9242957-B2 Thiophene-2-carboximidamide based selective neuronal nitric oxide inhibitors NORTHWESTERN UNIVERSITY (US) 2016-01-26 — — US disclosed
US-4952708-A REACTING SUBSTITUTED AROMATIC ACID HALIDES WITH SUBSTITUTED DI-OR POLYSILANES USING TRANSITION METAL COMPLEX AS CATALYST GENERAL ELECTRIC COMPANY (US) 1990-08-28 — — US disclosed
EP-0212823-B1 PURIFICATION PROCESS OF 3,3'-DINITRODIPHENYL COMPOUNDS MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-02-07 — — EP disclosed
EP-0339455-A2 Process for preparing biaryl compounds GENERAL ELECTRIC COMPANY (US) 1989-11-02 — — EP disclosed
US-4724268-A REACTING ORTHO AND PARA ISOMERS WITH ALCOHOL IN PRESENCE OF BASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-02-09 — — US disclosed
US-4724268-A REACTING ORTHO AND PARA ISOMERS WITH ALCOHOL IN PRESENCE OF BASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-02-09 — — US disclosed
US-4724268-A REACTING ORTHO AND PARA ISOMERS WITH ALCOHOL IN PRESENCE OF BASE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-02-09 — — US disclosed
EP-0212823-A1 Purification process of 3,3'-dinitrodiphenyl compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-03-04 — — EP disclosed
EP-0212823-A1 Purification process of 3,3'-dinitrodiphenyl compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-03-04 — — EP disclosed
EP-0212823-A1 Purification process of 3,3'-dinitrodiphenyl compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1987-03-04 — — EP 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 (2 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-20160280671-A1 COMPOSITIONS FOR THE TREATMENT OF HYPERTENSION AND/OR FIBROSIS TGFB1, REN, TGFB2 TSHR 3566/4885LMNA 701/4885ALDH1A1 1172/4885
US-20160152590-A1 Thiophene-2-carboximidamide Based Selective Neuronal Nitric Oxide Synthase Inhibitors NOS2, NOS1, NOS3 TSHR 2302/4885LMNA 4758/4885ALDH1A1 708/4885

“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.