SCHEMBL9976104

SCHEMBL9976104

COc1cc(S(=O)(=O)N2CCNCC2)ccc1C

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
GPBAR1 Q8TDU6 1/20 0.57
KMT2A Q03164 1/20 0.56
TSHR P16473 2/20 0.55
MCOLN3 Q8TDD5 1/20 0.55
HTT P42858 2/20 0.54
POLB P06746 1/20 0.54
ALDH1A1 P00352 2/20 0.54
PKM P14618 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
MAPT P10636 2/20 0.51
GAA P10253 1/20 0.51
HTR6 P50406 1/20 0.51

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
SCHEMBL4180101 0.88 GPBAR1 (0.73) LMNAGPBAR1KMT2ATSHRMCOLN3
SCHEMBL4184459 0.83 GPBAR1 (0.74) LMNAGPBAR1KMT2ATSHRMCOLN3
SCHEMBL14538033 0.83 ALDH1A1 (0.71) KMT2ATSHRALDH1A1PKMMAPT
SCHEMBL16480610 0.83 ALDH1A1 (0.73) LMNAGPBAR1TSHRPOLBALDH1A1
SCHEMBL27334375 0.82 KMT2A (0.58) LMNAGPBAR1KMT2ATSHRMCOLN3
SCHEMBL8937378 0.81 KMT2A (0.56) GPBAR1KMT2ATSHRMCOLN3ALDH1A1
SCHEMBL24042726 0.81 LMNA (0.61) LMNAGPBAR1TSHRMCOLN3HTT
SCHEMBL24322515 0.78 ALDH1A1 (0.72) LMNAKMT2ATSHRMCOLN3ALDH1A1
SCHEMBL1352340 0.77 PKM (0.77) LMNAKMT2ATSHRHTTALDH1A1
SCHEMBL4184681 0.77 GPBAR1 (0.90) LMNAGPBAR1TSHRMCOLN3HTT

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 2 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-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 LMNA 614/4885GPBAR1 3135/4885KMT2A 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.