SCHEMBL9975987

SCHEMBL9975987

CC(C)(C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc4cccnc4c3O)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
HTT P42858 3/20 0.56
KDM4E B2RXH2 3/20 0.56
MITF O75030 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
BCHE P06276 1/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
POLB P06746 2/20 0.51
PKM P14618 2/20 0.49
HSD11B1 P28845 4/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9976021 0.90 KDM4E (0.56) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975985 0.89 HTT (0.63) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975988 0.89 KDM4E (0.60) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975981 0.88 BCHE (0.60) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975984 0.87 HTT (0.58) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975983 0.87 HTT (0.73) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975982 0.87 KDM4E (0.58) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975986 0.86 HTT (0.58) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9975989 0.86 KDM4E (0.57) TDP1HTTKDM4EMITFSMN1; SMN2
SCHEMBL9976020 0.85 BCHE (0.57) TDP1HTTKDM4EMITFSMN1; SMN2

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-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
WO-2012087889-A2 DNA METHYLATION INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-06-28 WO 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 TDP1 97/4885HTT 3143/4885KDM4E 427/4885

“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.