SCHEMBL2018210

SCHEMBL2018210

O=C1c2ccc(I)cc2CN1CCCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 2/20 0.46
KDM4E B2RXH2 5/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
DRD2 P14416 2/20 0.39
DRD5 P21918 2/20 0.39
DRD3 P35462 2/20 0.39
HTR1A P08908 1/20 0.39
MEN1 O00255 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR7 P34969 1/20 0.38
RGS12 O14924 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL2019427 0.91 PRF1 (0.44) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL1500456 0.82 PRF1 (0.46) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL20924128 0.82 PRF1 (0.46) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL16979077 0.80 PRF1 (0.44) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL20923904 0.79 PRF1 (0.46) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL15571449 0.79 PRF1 (0.61) PRF1KDM4E
SCHEMBL9375738 0.78 KDM4E (0.65) KDM4ETSHRALOX15SIRT1ALDH1A1
SCHEMBL2023734 0.78 PRF1 (0.47) PRF1KDM4ETSHRALOX15SIRT1
SCHEMBL2016656 0.76 GRM5 (0.50) PRF1ALDH1A1HPGDDRD2DRD5
SCHEMBL22226933 0.75 ADAM17 (0.37) KDM4ETSHRALOX15SIRT1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2888251-B1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INST (AU) 2019-04-24 EP disclosed
EP-2888251-B1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INST (AU) 2019-04-24 EP disclosed
US-9896443-B2 Perforin inhibiting benzenesulfonamide compounds, preparation and uses thereof PETER MACCALLUM CANCER INSTITUTE (AU) 2018-02-20 US disclosed
US-9896443-B2 Perforin inhibiting benzenesulfonamide compounds, preparation and uses thereof PETER MACCALLUM CANCER INSTITUTE (AU) 2018-02-20 US disclosed
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2015-08-06 US disclosed
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2015-08-06 US disclosed
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2015-08-06 US disclosed
EP-2888251-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2015-07-01 EP disclosed
WO-2014028968-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2014-02-27 WO disclosed
US-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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 (2 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885KDM4E 4655/4885TSHR 3558/4885
US-20150218150-A1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, BAK1 PRF1 1/4885KDM4E 4660/4885TSHR 3620/4885

“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.