SCHEMBL9976087

SCHEMBL9976087

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNCC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.73
PKM P14618 1/20 0.68
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
POLB P06746 2/20 0.61
LMNA P02545 2/20 0.60
NPC1 O15118 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MET P08581 1/20 0.54
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
SCHEMBL30610305 1.00 ALDH1A1 (0.73) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL3537948 0.94 ALDH1A1 (0.84) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL2360974 0.89 ALDH1A1 (0.84) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL4033939 0.88 ALDH1A1 (0.64) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL4026842 0.88 ALDH1A1 (0.64) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL5347059 0.86 ALDH1A1 (0.97) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL29432508 0.85 ALDH1A1 (0.73) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL28137833 0.84 ALDH1A1 (1.00) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL2448409 0.83 ALDH1A1 (0.55) ALDH1A1PKMMEN1KMT2APOLB
SCHEMBL2448445 0.83 ALDH1A1 (0.55) ALDH1A1PKMMEN1KMT2APOLB

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
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-8546397-B2 DNA methylation inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-01 US disclosed
US-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 US 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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B ALDH1A1 2789/4885PKM 4235/4885MEN1 3018/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF ALDH1A1 823/4885PKM 2938/4885MEN1 913/4885

“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.