SCHEMBL19999130

SCHEMBL19999130

COc1cccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 16/20 0.74
▸ KMT2A Q03164 16/20 0.74
▸ HSP90AA1 P07900 2/20 0.74
▸ NSD2 O96028 1/20 0.74
▸ APOBEC3G Q9HC16 1/20 0.74
▸ POLB P06746 11/20 0.72
▸ PSMD14 O00487 1/20 0.72
▸ BLM P54132 2/20 0.70
▸ ATM Q13315 2/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ NOD2 Q9HC29 1/20 0.67
▸ L3MBTL1 Q9Y468 1/20 0.67
▸ CASP3 P42574 2/20 0.59
▸ SENP8 Q96LD8 2/20 0.59
▸ SENP7 Q9BQF6 2/20 0.59
▸ SENP6 Q9GZR1 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ GALK1 P51570 1/20 0.59
▸ CTNNB1 P35222 1/20 0.58
▸ TCF7L2 Q9NQB0 1/20 0.58

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
SCHEMBL8205465 0.87 PDE4B (0.62) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL19999128 0.87 PDE4B (0.62) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL8205466 0.87 PDE4B (0.62) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL18102989 0.86 CTNNB1 (0.65) MEN1KMT2APOLBL3MBTL1USP2
SCHEMBL18095863 0.86 CTNNB1 (0.65) MEN1KMT2APOLBL3MBTL1USP2
SCHEMBL18095861 0.86 CTNNB1 (0.65) MEN1KMT2APOLBL3MBTL1USP2
SCHEMBL19999129 0.86 CTNNB1 (0.64) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL18103012 0.85 MEN1 (1.00) MEN1KMT2AHSP90AA1NSD2APOBEC3G
SCHEMBL12008777 0.84 CTNNB1 (0.81) MEN1KMT2APOLBCTNNB1TCF7L2
SCHEMBL19999126 0.84 CTNNB1 (0.57) MEN1KMT2AHSP90AA1NSD2APOBEC3G

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 MEN1 846/4885KMT2A 470/4885HSP90AA1 4481/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MEN1 846/4885KMT2A 470/4885HSP90AA1 4481/4885

“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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