Sugi Predict

Sugi Predict / Compounds / SCHEMBL5838871

SCHEMBL5838871

SCHEMBL5838871

O=[N+]([O-])c1ccccc1Cc1cccs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 5/20 0.51
▸ TSHR P16473 1/20 0.51
▸ PKM P14618 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ AR P10275 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ CYP2C9 P11712 1/20 0.42
▸ NFKB1 P19838 1/20 0.41
▸ NFKB2 Q00653 1/20 0.41
▸ RELA Q04206 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7944958 0.95 ALDH1A1 (0.50) HPGDHTTALDH1A1TSHRPKM
SCHEMBL301933 0.80 ALDH1A1 (0.69) HPGDHTTALDH1A1TSHRL3MBTL1
SCHEMBL10961879 0.78 ALDH1A1 (0.53) HPGDHTTALDH1A1TSHRPKM
Ammonia Solution, Strong SCHEMBL10338964 0.78 ALDH1A1 (0.67) HPGDHTTALDH1A1TSHRL3MBTL1
SCHEMBL30505689 0.78 CYP2C9 (0.50) HPGDHTTTSHRKDM4ELMNA
SCHEMBL31236774 0.77 HPGD (0.67) HPGDHTTALDH1A1PKMLMNA
SCHEMBL28030573 0.77 CA2 (0.49) PKMKDM4EL3MBTL1MEN1KMT2A
Hydrochloric Acid SCHEMBL11063503 0.77 ALDH1A1 (0.52) HPGDHTTALDH1A1TSHRPKM
SCHEMBL3171275 0.74 MAPT (0.45) HPGDHTTALDH1A1TSHRPKM
SCHEMBL3202573 0.73 ALDH1A1 (0.72) HPGDHTTALDH1A1TSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114806275-B Printing ink, display panel and preparation method thereof 深圳市华星光电半导体显示技术有限公司 2023-05-30 — — CN disclosed
CN-114806275-A Printing ink, display panel and preparation method thereof 深圳市华星光电半导体显示技术有限公司 2022-07-29 — — CN disclosed
CN-102285887-A Method for preparing nitro-substituted diphenylmethane and derivative thereof — 2011-12-21 — — CN disclosed
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 — — US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 — — US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 — — US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 — — US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 — — US disclosed
CN-1110484-C 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 2003-06-04 — — CN disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 — — US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 — — EP disclosed
US-4992542-A Thienamycin antibiotics MERCK & CO., INC. (US) 1991-02-12 — — US disclosed
EP-0001627-B1 3-SUBSTITUTED-6-(1'HYDROXETHYL)-7-OXO-1-AZABICYCLO(3.2.0.)-HEPT-2-ENE-2-CARBOXYLIC ACID, ITS PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING IT MERCK & CO. INC. (US) 1984-04-04 — — EP disclosed
US-4347368-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-08-31 — — US disclosed
US-4347367-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-08-31 — — US disclosed
US-4269873-A PENICILLIN DERIVATIVES MERCK & CO., INC. (US) 1981-05-26 — — US disclosed
EP-0017992-A1 2-Substituted-6-substituted-1-carbadethiapen-2-em-3-carboxylic acids, processes for preparing them, antibiotic pharmaceutical compositions containing same and process for preparing intermediates MERCK & CO. INC. (US) 1980-10-29 — — EP disclosed
US-4218463-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-08-19 — — US disclosed
EP-0001628-A1 3-Substituted-6-substituted-7-oxo-1-azabicyclo (3.2.0)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 — — EP disclosed
EP-0001627-A1 3-Substituted-6-(1'hydroxethyl)-7-oxo-1-azabicyclo(3.2.0.)-hept-2-ene-2-carboxylic acid, its preparation and pharmaceutical compositions containing it MERCK & CO. INC. (US) 1979-05-02 — — 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 (3 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 HPGD 318/4885HTT 4483/4885ALDH1A1 873/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R HPGD 2128/4885HTT 3626/4885ALDH1A1 2564/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 HPGD 1966/4885HTT 3853/4885ALDH1A1 2682/4885

“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.

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