SCHEMBL8708716

SCHEMBL8708716

COc1ccc(-c2ccccc2/C=C2\SC(=S)NC2=O)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAT1 P18440 4/20 0.65
▸ CSNK2A2 P19784 1/20 0.64
▸ CLK1 P49759 1/20 0.64
▸ CSNK2B P67870 1/20 0.64
▸ CSNK2A1 P68400 1/20 0.64
▸ DYRK1A Q13627 1/20 0.64
▸ DYRK1B Q9Y463 1/20 0.64
▸ CA2 P00918 1/20 0.61
▸ PDE4B Q07343 1/20 0.58
▸ PIM1 P11309 3/20 0.57
▸ ADAMTS5 Q9UNA0 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ GSK3B P49841 1/20 0.54

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
SCHEMBL8308593 1.00 NAT1 (0.65) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8986249 0.86 PIM1 (0.65) NAT1CA2PDE4BPIM1GSK3B
SCHEMBL8986259 0.86 PIM1 (0.65) NAT1CA2PDE4BPIM1GSK3B
SCHEMBL18103073 0.86 PIM1 (0.65) NAT1CA2PDE4BPIM1GSK3B
SCHEMBL18103082 0.84 NAT1 (0.67) NAT1CA2PIM1KDM4EMEN1
SCHEMBL18103022 0.83 NAT1 (0.77) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL30250160 0.81 CSNK2A2 (0.92) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8309671 0.79 NAT1 (1.00) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8309670 0.79 NAT1 (1.00) NAT1CSNK2A2CLK1CSNK2BCSNK2A1
SCHEMBL8312402 0.79 CSNK2A2 (1.00) NAT1CSNK2A2CLK1CSNK2BCSNK2A1

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 5 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
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 — — 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 867/4885CSNK2A2 1510/4885CLK1 2876/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 NAT1 867/4885CSNK2A2 1510/4885CLK1 2876/4885

“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.

Send feedback