SCHEMBL6206480

SCHEMBL6206480

O=Cc1cc(S[N+](=O)[O-])ccc1O

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 11/20 0.57
CDK1 P06493 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38

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
SCHEMBL3899644 0.77 ERN1 (0.55) ERN1CDK1TRIM24TRIM33
SCHEMBL2914126 0.75 TP53 (0.42)
SCHEMBL6094668 0.74 ERN1 (0.57) ERN1CDK1TRIM24TRIM33
SCHEMBL2641952 0.74 ERN1 (0.52) ERN1CDK1TRIM24TRIM33
SCHEMBL10645203 0.73 ERN1 (0.51) ERN1
SCHEMBL79298 0.73 ERN1 (1.00) ERN1
SCHEMBL30135697 0.73 ERN1 (1.00) ERN1
SCHEMBL11165076 0.72 MCL1 (0.59)
SCHEMBL11417323 0.71 ERN1 (0.96) ERN1
SCHEMBL3902703 0.71 NR1H2 (0.52) ERN1CDK1TRIM24TRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59122577-A None JP disclosed
JP-60054388-A None JP disclosed
JP-60177089-A None JP disclosed
JP-4297480-A None JP disclosed
EP-1569645-A2 METHOD OF USING AMINOCYANOPYRIDINE COMPOUNDS AS MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 INHIBITORS Pharmacia Corporation (US) 2005-09-07 EP disclosed
EP-1569942-A2 TRICYCLIC AMINOCYANOPYRIDINE INHIBITORS OF MITOGEN ACTIVATED PROTEIN KINASE-ACTIVATED PROTEIN KINASE-2 Pharmacia Corporation (US) 2005-09-07 EP disclosed
EP-1569938-A1 METHOD OF MAKING TRICYCLIC AMINOCYANOPYRIDINE COMPOUNDS Pharmacia Corporation (US) 2005-09-07 EP disclosed
US-6909001-B2 Method of making tricyclic aminocyanopyridine compounds PHARMACIA CORPORATION (US) 2005-06-21 US disclosed
US-20040127511-A1 Tricyclic aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 PHARMACIA CORPORATION 2004-07-01 US disclosed
US-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors PHARMACIA CORPORATION 2004-07-01 US disclosed
EP-0411157-A1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-02-06 EP disclosed
US-4753867-A INDOLINOSPIROBENZOTHIOPYRAN COMPOUND SONY CORPORATION (JP) 1988-06-28 US disclosed
EP-0115201-B1 PHOTOSENSITIVE COMPOSITIONS CONTAINING PHOTOCHROMIC COMPOUNDS SONY CORPORATION (JP) 1988-03-02 EP disclosed
EP-0189188-A2 Optical recording medium SONY CORPORATION (JP) 1986-07-30 EP disclosed
US-4565779-A Photochromic compounds and photosensitive compositions containing the compounds SONY CORPORATION (JP) 1986-01-21 US disclosed
JP-S60177089-A PHOTOCHROMIC COMPOUND SONY CORP 1985-09-11 JP disclosed
JP-S6054388-A PHOTOCHROMIC COMPOUND SONY CORP 1985-03-28 JP disclosed
EP-0115201-A2 Photosensitive compositions containing photochromic compounds SONY CORPORATION (JP) 1984-08-08 EP disclosed
JP-S59122577-A PHOTOCHROMIC COMPOSITION SONY CORP 1984-07-16 JP disclosed
JP-S0654388-A 0001-01-01 JP 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-20040127519-A1 Method of using aminocyanopyridine compounds as mitogen activated protein kinase-activated protein kinase-2 inhibitors MAPKAPK2, MAP2K2, MAP3K2 ERN1 1456/4885CDK1 268/4885ALDH5A1 3178/4885
US-20040127511-A1 Tricyclic aminocyanopyridine inhibitors of mitogen activated protein kinase-activated protein kinase-2 MAPKAPK2, MAP4K2, MAP3K2 ERN1 1639/4885CDK1 104/4885ALDH5A1 2967/4885

“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.