SCHEMBL20005602

SCHEMBL20005602

C=CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.72
▸ MEN1 O00255 9/20 0.72
▸ POLB P06746 4/20 0.72
▸ CRHBP P24387 2/20 0.72
▸ CRHR2 Q13324 2/20 0.72
▸ MAPT P10636 12/20 0.63
▸ TDP1 Q9NUW8 5/20 0.62
▸ GAA P10253 4/20 0.62
▸ KDM4E B2RXH2 2/20 0.62
▸ NPC1 O15118 2/20 0.62
▸ MITF O75030 1/20 0.62
▸ NCOA3 Q9Y6Q9 1/20 0.62
▸ NSD2 O96028 2/20 0.61
▸ ALDH1A1 P00352 6/20 0.59
▸ HTT P42858 4/20 0.59
▸ MAPK1 P28482 3/20 0.59
▸ RECQL P46063 2/20 0.59
▸ JAK2 O60674 1/20 0.59
▸ NPY2R P49146 1/20 0.59
▸ BLM P54132 1/20 0.59

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
SCHEMBL18102931 1.00 KMT2A (0.72) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL18103080 0.77 MAPT (0.75) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL20005699 0.77 MAPT (0.75) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL18102995 0.77 KMT2A (0.70) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL12008472 0.77 MAPT (1.00) KMT2AMEN1CRHBPCRHR2MAPT
SCHEMBL12008473 0.75 MAPT (0.88) KMT2AMEN1CRHBPCRHR2MAPT
SCHEMBL20846973 0.74 MAPT (1.00) KMT2AMEN1POLBMAPTTDP1
SCHEMBL18103040 0.74 MEN1 (0.67) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL19999093 0.74 MAPT (0.70) KMT2AMEN1POLBMAPTTDP1
SCHEMBL21586136 0.74 MAPT (0.70) KMT2AMEN1POLBMAPTTDP1

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

“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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