SCHEMBL20006057

SCHEMBL20006057

Cc1cc(C)cc(OCCCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ POLB P06746 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ BLM P54132 1/20 0.66
▸ NOD2 Q9HC29 1/20 0.66
▸ GSK3B P49841 3/20 0.64
▸ HRH3 Q9Y5N1 1/20 0.63
▸ CSNK2A2 P19784 1/20 0.62
▸ CLK1 P49759 1/20 0.62
▸ CSNK2B P67870 1/20 0.62
▸ CSNK2A1 P68400 1/20 0.62
▸ DYRK1A Q13627 1/20 0.62
▸ DYRK1B Q9Y463 1/20 0.62
▸ PTGS2 P35354 2/20 0.61
▸ MMP3 P08254 2/20 0.60
▸ MMP13 P45452 2/20 0.60
▸ GPR35 Q9HC97 1/20 0.59
▸ PIM1 P11309 1/20 0.57
▸ PIM2 Q9P1W9 1/20 0.57
▸ CISD1 Q9NZ45 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
SCHEMBL19999097 1.00 MEN1 (0.66) MEN1POLBKMT2ABLMNOD2
SCHEMBL8310047 0.87 PIM1 (0.68) MEN1POLBKMT2ABLMNOD2
SCHEMBL1249348 0.87 PIM1 (0.71) MEN1POLBKMT2ABLMNOD2
SCHEMBL1249347 0.87 PIM1 (0.71) MEN1POLBKMT2ABLMNOD2
SCHEMBL18102861 0.86 GSK3B (0.85) MEN1POLBKMT2ABLMNOD2
SCHEMBL13846898 0.86 PIM1 (0.67) MEN1POLBKMT2ABLMNOD2
SCHEMBL19999089 0.85 GSK3B (0.84) MEN1POLBKMT2ABLMNOD2
SCHEMBL8714351 0.84 PIM1 (0.80) MEN1POLBKMT2ABLMNOD2
SCHEMBL8714355 0.84 PIM1 (0.80) MEN1POLBKMT2ABLMNOD2
SCHEMBL31482534 0.82 MEN1 (0.67) MEN1POLBKMT2ABLMNOD2

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 MEN1 846/4885POLB 1009/4885KMT2A 470/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MEN1 846/4885POLB 1009/4885KMT2A 470/4885

“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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