SCHEMBL5956622

SCHEMBL5956622

O=C(NC1CCCS(=O)(=O)c2cc(C(=O)Nc3ccncc3)ccc21)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.49
POLB P06746 1/20 0.47
KDM1A O60341 3/20 0.42
RCOR1 Q9UKL0 3/20 0.42
MAOA P21397 2/20 0.42
KDM1B Q8NB78 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.41
SCD O00767 1/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL5956609 0.95 ROCK2 (0.50) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956664 0.95 ROCK2 (0.50) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956550 0.95 ROCK2 (0.50) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956624 0.92 POLB (0.47) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956900 0.86 ALDH1A1 (0.43) ALDH1A1KMT2A
SCHEMBL5956777 0.84 POLB (0.51) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956937 0.84 CTSK (0.42) ALDH1A1SMN1; SMN2
SCHEMBL5956646 0.81 POLB (0.51) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956725 0.81 POLB (0.51) ROCK2POLBKDM1ARCOR1MAOA
SCHEMBL5956707 0.80 ALDH1A1 (0.45) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1270570-B1 AMIDE COMPOUNDS AND USE THEREOF MITSUBISHI PHARMA CORP (JP) 2006-05-31 EP disclosed
US-6933305-B2 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2005-08-23 US disclosed
US-20030158413-A1 Amide compounds and use thereof MITSUBISHI PHARMA CORPORATION (JP) 2003-08-21 US disclosed
EP-1270570-A1 AMIDE COMPOUNDS AND USE THEREOF Mitsubishi Pharma Corporation (JP) 2003-01-02 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 (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-20030158413-A1 Amide compounds and use thereof ROCK2, ROCK1, RHOT2 ROCK2 1/4885POLB 3152/4885KDM1A 1618/4885

“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.