SCHEMBL20005836

SCHEMBL20005836

Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)NC2=O)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 5/20 0.72
▸ MGAM O43451 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ SI P14410 1/20 0.61
▸ MGAM2 Q2M2H8 1/20 0.61
▸ MEN1 O00255 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ BLM P54132 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ NOD2 Q9HC29 1/20 0.57
▸ PTP4A3 O75365 8/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ NAT1 P18440 1/20 0.54
▸ ADAMTS5 Q9UNA0 4/20 0.52

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
SCHEMBL18102852 1.00 GSK3B (0.72) GSK3BMGAMGAASIMGAM2
SCHEMBL20005777 0.89 MGAM (0.68) GSK3BMGAMGAASIMGAM2
SCHEMBL18102936 0.89 MGAM (0.68) GSK3BMGAMGAASIMGAM2
SCHEMBL10090299 0.89 MGAM (0.59) GSK3BMGAMGAASIMGAM2
SCHEMBL2065374 0.89 MGAM (0.59) GSK3BMGAMGAASIMGAM2
SCHEMBL12210310 0.88 GSK3B (0.72) GSK3BMEN1POLBBLMKMT2A
SCHEMBL18102848 0.85 MGAM (0.66) GSK3BMGAMGAASIMGAM2
SCHEMBL10090298 0.85 MEN1 (0.61) GSK3BMGAMGAASIMGAM2
SCHEMBL2065559 0.85 MEN1 (0.61) GSK3BMGAMGAASIMGAM2
SCHEMBL5026018 0.83 KMT2A (0.53) GSK3BMEN1POLBKMT2A

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 2 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

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 GSK3B 1070/4885MGAM 4574/4885GAA 3491/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 GSK3B 1070/4885MGAM 4574/4885GAA 3491/4885

“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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