SCHEMBL9976028

SCHEMBL9976028

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc4ccccc4c3O)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
KMT2A Q03164 3/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HTT P42858 3/20 0.51
PKM P14618 1/20 0.50
FAAH O00519 1/20 0.49
HSP90AA1 P07900 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MGLL Q99685 1/20 0.48
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
GBA1 P04062 1/20 0.47
MITF O75030 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
SCHEMBL9975980 0.88 FAAH (0.59) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL9976027 0.86 PKM (0.68) ALDH1A1MAPTKMT2AKDM4ELMNA
SCHEMBL10037159 0.80 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL1519692 0.73 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL9975981 0.72 BCHE (0.60) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL853378 0.71 ALDH1A1 (0.58) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL7535254 0.71 HTT (0.56) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL9975988 0.71 KDM4E (0.60) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL9975989 0.71 KDM4E (0.57) ALDH1A1MAPTKMT2AKDM4EMEN1
SCHEMBL7979681 0.71 KDM4E (0.73) ALDH1A1MAPTKMT2AKDM4ELMNA

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 ALDH1A1 2789/4885MAPT 3677/4885KMT2A 17/4885

“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.