SCHEMBL2780056

SCHEMBL2780056

COS(=O)(=O)[O-].C[n+]1ccc(C=O)cc1

nearest known ligand 0.41

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE known ✓ P22303 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.41
▸ ALDH1A1 P00352 8/20 0.39
▸ CYP2A6 P11509 3/20 0.39
▸ CHAT P28329 3/20 0.38
▸ STS P08842 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALPG P10696 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL20298611 0.93 ALDH1A1 (0.46) HDAC8ALDH1A1CYP2A6CHATKDM4E
SCHEMBL3475924 0.93 ALDH1A1 (0.46) HDAC8ALDH1A1CYP2A6CHATKDM4E
SCHEMBL7571439 0.87 ALDH1A1 (0.41) HDAC8ALDH1A1CYP2A6CHATKDM4E
SCHEMBL4154334 0.86 ALDH1A1 (0.36) HDAC8ALDH1A1CYP2A6CHATSTS
SCHEMBL658342 0.84 HDAC8 (0.64) HDAC8ALDH1A1CHATACHEKDM4E
SCHEMBL28596843 0.83 ALDH1A1 (0.41) HDAC8ALDH1A1CYP2A6STSKDM4E
SCHEMBL1425978 0.82 — —
Sulfuric Acid SCHEMBL7787999 0.81 CHAT (0.52) HDAC8ALDH1A1CYP2A6CHATKDM4E
SCHEMBL11032707 0.81 CHAT (0.67) ALDH1A1CHATKDM4EHPGDCYP2C19
SCHEMBL2779790 0.81 HDAC8 (0.49) HDAC8ALDH1A1CYP2A6CHATACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767381-B2 Photosensitive resin composition, and photosensitive film and stencil for screen printing using the photosensitive composition MURAKAMI CO., LTD. (JP) 2010-08-03 — — US disclosed
US-20090099275-A1 Photosensitive Resin Composition, and Photosensitive Film and Stencil for Screen Printing Using the Photosensitive Composition MURAKAMI CO., LTD. (JP) 2009-04-16 — — US disclosed
EP-2019128-A1 PHOTOSENSITIVE RESIN COMPOSITION AND PRODUCED THEREFROM, PHOTOSENSITIVE FILM AND STENCIL FOR SCREEN PRINTING Murakami Co., Ltd. (JP) 2009-01-28 — — EP disclosed
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 — — EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 — — US disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 — — WO 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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 ACHE 1916/4885HDAC8 1274/4885ALDH1A1 193/4885

“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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