SCHEMBL1867988

SCHEMBL1867988

O=C(Cl)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.57
HTT P42858 1/20 0.57
RECQL P46063 1/20 0.57
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
CTDSP1 Q9GZU7 1/20 0.52
HSP90AA1 P07900 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.49
FAAH O00519 1/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL16912996 0.88 EPHX2 (0.63) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL1869040 0.87 EPHX2 (0.66) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL1866862 0.83 EPHX2 (0.61) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL1869601 0.83 PKM (0.70) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL854322 0.82 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL16912986 0.81 SMN1; SMN2 (0.64) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL7133340 0.80 SMN1; SMN2 (0.60) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL1519692 0.80 ALDH1A1 (0.69) SMN1; SMN2HTTRECQLALDH1A1LMNA
SCHEMBL30005295 0.80 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2HTTRECQLALDH1A1
SCHEMBL14055643 0.80 SMN1; SMN2 (0.63) EPHX2SMN1; SMN2HTTRECQLALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-8946197-B2 Transglutaminase TG2 inhibitors, pharmaceutical compositions, and methods of use thereof CHDI FOUNDATION, INC. (US) 2015-02-03 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
US-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2013-05-09 US disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO disclosed
WO-2011060321-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI, INC. (US) 2011-05-19 WO 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-20130116216-A1 TRANSGLUTAMINASE TG2 INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF HTT, TGM2, GRN EPHX2 2046/4885SMN1; SMN2 216/4885HTT 1/4885

“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.