SCHEMBL624382

SCHEMBL624382

N=C1NC(=O)/C(=C/c2cc3ccccc3[nH]2)S1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.51
XDH P47989 2/20 0.48
CYP2A6 P11509 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MRE11 P49959 1/20 0.47
MAOB P27338 1/20 0.44
POLB P06746 2/20 0.44
GSK3B P49841 5/20 0.43
GSK3A P49840 4/20 0.43
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
MAPT P10636 1/20 0.40
IDO1 P14902 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL624383 1.00 SIRT1 (0.51) SIRT1XDHCYP2A6MEN1KMT2A
SCHEMBL623590 0.83 PIM1 (0.59) SIRT1MEN1KMT2ACLK1CLK3
SCHEMBL623591 0.83 PIM1 (0.59) SIRT1MEN1KMT2ACLK1CLK3
SCHEMBL623589 0.83 PIM1 (0.59) SIRT1MEN1KMT2ACLK1CLK3
SCHEMBL13846899 0.75 XDH (0.51) XDHMEN1KMT2AMRE11POLB
SCHEMBL22971852 0.72 XDH (0.75) XDHMEN1KMT2AMRE11MAOB
SCHEMBL622912 0.71 PIM1 (0.72) XDHCYP2A6MEN1KMT2AMRE11
SCHEMBL622913 0.71 PIM1 (0.72) XDHCYP2A6MEN1KMT2AMRE11
SCHEMBL8210006 0.70 XDH (0.46) XDHMEN1KMT2AMRE11POLB
SCHEMBL8210002 0.70 XDH (0.46) XDHMEN1KMT2AMRE11POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598395-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-21 US disclosed
US-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 US disclosed
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-02-19 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 WO disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT SIRT1 4791/4885XDH 3017/4885CYP2A6 2271/4885
US-20150051251-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT SIRT1 4791/4885XDH 3017/4885CYP2A6 2271/4885

“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.