SCHEMBL19999112

SCHEMBL19999112

COc1ccccc1OCCOc1ccccc1C=C1SC(=S)NC1=O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 3/20 0.81
GSK3B P49841 1/20 0.75
PDE4B Q07343 4/20 0.68
PTP4A3 O75365 4/20 0.64
CA2 P00918 1/20 0.61
CISD1 Q9NZ45 2/20 0.58
MAOB P27338 1/20 0.58
PDE3A Q14432 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
DYRK1A Q13627 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PIM1 P11309 1/20 0.55

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
SCHEMBL8309670 0.90 NAT1 (1.00) NAT1GSK3BPDE4BPTP4A3CA2
SCHEMBL8309671 0.90 NAT1 (1.00) NAT1GSK3BPDE4BPTP4A3CA2
SCHEMBL18103028 0.88 NAT1 (0.85) NAT1GSK3BPDE4BPTP4A3CA2
SCHEMBL18102857 0.86 GSK3B (0.77) NAT1GSK3BPDE4BPTP4A3MEN1
SCHEMBL18102849 0.85 GSK3B (0.75) NAT1GSK3BPDE4BPTP4A3CISD1
SCHEMBL18103046 0.84 GSK3B (0.73) NAT1GSK3BPDE4BPTP4A3CA2
SCHEMBL29518134 0.82 GSK3B (0.66) NAT1GSK3BPDE4BPTP4A3CA2
SCHEMBL18102860 0.82 GSK3B (0.73) NAT1GSK3BPDE4BPTP4A3CA2
SCHEMBL10090211 0.81 PTP4A3 (0.83) NAT1GSK3BPTP4A3CISD1MEN1
SCHEMBL2064980 0.81 PTP4A3 (0.83) NAT1GSK3BPTP4A3CISD1MEN1

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 3 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-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

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 867/4885GSK3B 1070/4885PDE4B 3826/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885GSK3B 1070/4885PDE4B 3826/4885

“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.