SCHEMBL1024120

SCHEMBL1024120

CN(CCCN1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.52
PABPC1 P11940 1/20 0.52
CCR6 P51684 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAOB P27338 5/20 0.46
PKM P14618 1/20 0.43
AGTR1 P30556 1/20 0.42
VCAM1 P19320 2/20 0.42
ACHE P22303 1/20 0.42
NR1I2 O75469 1/20 0.41
AHR P35869 1/20 0.41
RAD52 P43351 1/20 0.41
RCE1 Q9Y256 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
SCHEMBL1029490 0.93 MEN1 (0.56) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1024490 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL25167983 0.82 ACHE (0.47) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL30422935 0.81 VCAM1 (0.46) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL25166781 0.81 VCAM1 (0.46) MEN1KMT2AALDH1A1LMNAPOLB
SCHEMBL1023882 0.80 KMT2A (0.64) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
Hydrochloric Acid SCHEMBL1029683 0.79 KMT2A (0.63) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL27816041 0.79 KMT2A (0.63) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL1652853 0.78 KMT2A (0.61) MEN1KMT2AALDH1A1SMN1; SMN2NPSR1
SCHEMBL25168044 0.78 MAOB (0.50) MEN1KMT2AALDH1A1LMNAPOLB

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 MEN1 2301/4885KMT2A 2852/4885ALDH1A1 180/4885
US-20110034440-A1 HOMOCYSTEINE SYNTHASE INHIBITOR BHMT, CBS, BHMT2 MEN1 514/4885KMT2A 1006/4885ALDH1A1 600/4885

“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.