SCHEMBL1024915

SCHEMBL1024915

NN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1

nearest known ligand 0.73

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
PKM P14618 1/20 0.72
KMT2A Q03164 3/20 0.70
MEN1 O00255 2/20 0.70
POLB P06746 3/20 0.65
NPC1 O15118 1/20 0.64
LMNA P02545 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL2360974 0.92 ALDH1A1 (0.84) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL5347059 0.86 ALDH1A1 (0.97) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL2061369 0.85 PKM (0.76) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL28137833 0.84 ALDH1A1 (1.00) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL17007463 0.83 ALDH1A1 (0.75) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL7647475 0.83 ALDH1A1 (0.75) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL14256511 0.82 PKM (0.72) ALDH1A1PKMKMT2AMEN1POLB
Hydrochloric Acid SCHEMBL6094287 0.82 POLB (0.69) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL2062534 0.82 POLB (0.75) ALDH1A1PKMKMT2AMEN1POLB
SCHEMBL31234627 0.82 POLB (0.75) ALDH1A1PKMKMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513235-B2 Homocysteine synthase inhibitor MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-08-20 US disclosed
EP-2486925-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION Mitsubishi Tanabe Pharma Corporation (JP) 2012-08-15 EP disclosed
US-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-08-02 US disclosed
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-02-10 US disclosed
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 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-20120196824-A1 THERAPEUTIC AGENT FOR CEREBRAL INFARCTION FABP7, TIMP3, MMP11 ALDH1A1 180/4885PKM 4306/4885KMT2A 2852/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 ALDH1A1 600/4885PKM 2586/4885KMT2A 1006/4885

“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.