SCHEMBL9975978

SCHEMBL9975978

O=S(=O)(c1ccccc1)N1CCN(Cc2ccccc2O)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
ALDH1A1 P00352 6/20 0.65
TDP1 Q9NUW8 3/20 0.65
RECQL P46063 1/20 0.65
MPO P05164 1/20 0.65
TP53 P04637 3/20 0.62
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.55
HPGD P15428 1/20 0.54
TSHR P16473 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 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
SCHEMBL27713019 0.84 PTGDR2 (0.67) KDM4EALDH1A1TDP1RECQLTP53
SCHEMBL28770778 0.81 PTGDR2 (0.69) KDM4EALDH1A1TDP1RECQLPKM
SCHEMBL1714744 0.81 LMNA (0.81) KDM4EALDH1A1TDP1RECQLTP53
SCHEMBL3967782 0.80 MPO (1.00) KDM4EALDH1A1MPOHPGDTSHR
SCHEMBL4102165 0.80 PTGDR2 (0.70) KDM4EALDH1A1TDP1RECQLTP53
SCHEMBL9975979 0.80 CYP2C19 (0.58) KDM4EALDH1A1TDP1RECQLTP53
SCHEMBL7131206 0.80 KDM4E (0.78) KDM4EALDH1A1POLBGAAMAPT
SCHEMBL9975980 0.79 FAAH (0.59) KDM4EALDH1A1TDP1RECQLTP53
SCHEMBL3830424 0.77 POLB (0.80) ALDH1A1TDP1PKMPOLBGAA
SCHEMBL7122592 0.77 POLB (0.80) ALDH1A1TDP1PKMPOLBGAA

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 KDM4E 427/4885ALDH1A1 2789/4885TDP1 97/4885

“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.