SCHEMBL18103030

SCHEMBL18103030

COc1c(O)cccc1/C=C1\SC(=S)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 2/20 0.75
▸ NAT1 P18440 4/20 0.69
▸ CISD1 Q9NZ45 3/20 0.60
▸ MAOB P27338 2/20 0.60
▸ PIM1 P11309 3/20 0.56
▸ DYRK1A Q13627 2/20 0.56
▸ GSK3B P49841 2/20 0.56
▸ MAOA P21397 1/20 0.56
▸ CDC7 O00311 1/20 0.56
▸ PLK4 O00444 1/20 0.56
▸ DAPK3 O43293 1/20 0.56
▸ DYRK3 O43781 1/20 0.56
▸ PRKD3 O94806 1/20 0.56
▸ MAP4K4 O95819 1/20 0.56
▸ PRKCG P05129 1/20 0.56
▸ CDK1 P06493 1/20 0.56
▸ RPS6KB1 P23443 1/20 0.56
▸ AKT1 P31749 1/20 0.56
▸ CSNK1A1 P48729 1/20 0.56
▸ CSNK1D P48730 1/20 0.56

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
SCHEMBL8310322 0.86 PDE4B (1.00) PDE4BNAT1CISD1MAOBPIM1
SCHEMBL8310325 0.86 PDE4B (1.00) PDE4BNAT1CISD1MAOBPIM1
SCHEMBL4801327 0.85 PDE4B (0.75) PDE4BNAT1CISD1MAOBPIM1
SCHEMBL4801335 0.85 PDE4B (0.75) PDE4BNAT1CISD1MAOBPIM1
SCHEMBL1449166 0.83 NAT1 (0.74) PDE4BNAT1CISD1MAOBPIM1
SCHEMBL18102984 0.83 NAT1 (0.59) PDE4BNAT1CISD1MAOBPIM1
SCHEMBL18102942 0.82 NAT1 (0.78) PDE4BNAT1PIM1GSK3B
SCHEMBL3425971 0.82 NAT1 (1.00) NAT1PIM1GSK3BCA2
SCHEMBL15421702 0.82 NAT1 (1.00) NAT1PIM1GSK3BCA2
SCHEMBL3425968 0.82 NAT1 (1.00) NAT1PIM1GSK3BCA2

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 4 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
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 PDE4B 3826/4885NAT1 867/4885CISD1 511/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 PDE4B 3826/4885NAT1 867/4885CISD1 511/4885

“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.

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