SCHEMBL18095832

SCHEMBL18095832

O=C1NC(=S)S/C1=C\c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.83
MMP3 P08254 3/20 0.78
MMP13 P45452 3/20 0.78
CSNK2A2 P19784 1/20 0.68
CLK1 P49759 1/20 0.68
CSNK2B P67870 1/20 0.68
CSNK2A1 P68400 1/20 0.68
DYRK1A Q13627 1/20 0.68
DYRK1B Q9Y463 1/20 0.68
RAB9A P51151 2/20 0.63
AKR1B1 P15121 2/20 0.63
HPGD P15428 2/20 0.63
GSK3B P49841 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
ALDH1A1 P00352 1/20 0.61
MAPT P10636 1/20 0.61
MYC P01106 3/20 0.61
MAX P61244 2/20 0.61
CISD1 Q9NZ45 1/20 0.61
IL1RN P18510 1/20 0.60

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
SCHEMBL18095833 1.00 NAT1 (0.83) NAT1MMP3MMP13CSNK2A2CLK1
SCHEMBL18103024 1.00 NAT1 (0.83) NAT1MMP3MMP13CSNK2A2CLK1
SCHEMBL8174883 0.91 NAT1 (1.00) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8174880 0.91 NAT1 (1.00) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8534665 0.91 NAT1 (1.00) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL18103055 0.87 MMP3 (0.75) NAT1MMP3MMP13CSNK2A2CLK1
SCHEMBL18103062 0.87 MMP13 (0.82) NAT1MMP3MMP13AKR1B1GSK3B
SCHEMBL8177661 0.87 MMP3 (1.00) NAT1MMP3MMP13CSNK2A2CLK1
SCHEMBL18103088 0.87 MMP3 (1.00) NAT1MMP3MMP13CSNK2A2CLK1
SCHEMBL8177658 0.87 MMP3 (1.00) NAT1MMP3MMP13CSNK2A2CLK1

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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same UNIVERSITY OF MIAMI (US) 2019-12-10 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-03-29 US disclosed
EP-3282846-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME University of Miami (US) 2018-02-21 EP disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 WO disclosed
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 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-10501413-B2 Inhibitors of the Notch transcriptional activation complex and methods for use of the same NOTCH1, CBFB, HES1 NAT1 867/4885MMP3 3138/4885MMP13 3868/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885MMP3 3138/4885MMP13 3868/4885

“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.