SCHEMBL20005699

SCHEMBL20005699

C=CCOc1ccc(/C=C2\SC(=S)N(C(C)c3ccccc3)C2=O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.75
▸ CRHBP P24387 3/20 0.75
▸ CRHR2 Q13324 3/20 0.75
▸ L3MBTL1 Q9Y468 2/20 0.64
▸ MAPK1 P28482 2/20 0.64
▸ MEN1 O00255 6/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ POLB P06746 3/20 0.59
▸ NPC1 O15118 1/20 0.57
▸ MITF O75030 1/20 0.57
▸ NCOA3 Q9Y6Q9 1/20 0.57
▸ DUSP26 Q9BV47 1/20 0.55
▸ CACNA1B Q00975 1/20 0.54
▸ APBA1 Q02410 1/20 0.54
▸ BCL2L2 Q92843 6/20 0.53
▸ BAD Q92934 5/20 0.53
▸ BCL2 P10415 4/20 0.53
▸ NSD2 O96028 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ DNM1 Q05193 1/20 0.49

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
SCHEMBL18103080 1.00 MAPT (0.75) MAPTCRHBPCRHR2L3MBTL1MAPK1
SCHEMBL6884990 0.79 MAPT (0.71) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL6884996 0.79 MAPT (0.71) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL18102931 0.77 KMT2A (0.72) MAPTCRHBPCRHR2L3MBTL1MAPK1
SCHEMBL20005602 0.77 KMT2A (0.72) MAPTCRHBPCRHR2L3MBTL1MAPK1
SCHEMBL18102922 0.74 DUSP26 (0.58) MAPTCRHBPCRHR2MAPK1MEN1
SCHEMBL18103077 0.74 DUSP26 (0.65) MAPTCRHBPCRHR2MAPK1MEN1
SCHEMBL20005697 0.74 DUSP26 (0.65) MAPTCRHBPCRHR2MAPK1MEN1
SCHEMBL6884831 0.73 PTPN1 (0.67) MAPTCRHBPCRHR2L3MBTL1MEN1
SCHEMBL6884827 0.73 PTPN1 (0.67) MAPTCRHBPCRHR2L3MBTL1MEN1

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 MAPT 3938/4885CRHBP 2621/4885CRHR2 4791/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPT 3938/4885CRHBP 2621/4885CRHR2 4791/4885

“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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