SCHEMBL9975980

SCHEMBL9975980

O=S(=O)(c1ccccc1)N1CCN(Cc2ccc3ccccc3c2O)CC1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.59
KDM4E B2RXH2 7/20 0.59
ALDH1A1 P00352 5/20 0.59
TDP1 Q9NUW8 4/20 0.59
MAPT P10636 4/20 0.59
GAA P10253 3/20 0.59
LMNA P02545 1/20 0.59
KMT2A Q03164 1/20 0.59
RECQL P46063 1/20 0.54
HTT P42858 2/20 0.54
PKM P14618 1/20 0.54
POLB P06746 2/20 0.53
TP53 P04637 3/20 0.52
MITF O75030 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.47
HTR6 P50406 1/20 0.47

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
SCHEMBL9976027 0.91 PKM (0.68) FAAHKDM4EALDH1A1TDP1MAPT
SCHEMBL9976028 0.88 ALDH1A1 (0.61) FAAHKDM4EALDH1A1TDP1MAPT
SCHEMBL9975981 0.82 BCHE (0.60) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL9975978 0.79 KDM4E (0.65) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL9975989 0.77 KDM4E (0.57) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL7979681 0.77 KDM4E (0.73) FAAHKDM4EALDH1A1TDP1MAPT
SCHEMBL9975988 0.75 KDM4E (0.60) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL9976019 0.74 BCHE (0.56) KDM4EALDH1A1TDP1MAPTGAA
SCHEMBL5307965 0.74 KDM4E (1.00) FAAHKDM4EALDH1A1TDP1MAPT
SCHEMBL3606740 0.74 FAAH (1.00) FAAHKDM4EALDH1A1TDP1MAPT

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-20120157465-A1 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-21 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 (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-20120157465-A1 DNA METHYLATION INHIBITORS MECP2, DNMT1, DNMT3B FAAH 2087/4885KDM4E 427/4885ALDH1A1 2789/4885

“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.