SCHEMBL18102995

SCHEMBL18102995

C=CCOc1ccc(C=C2SC(=S)N(NC(=O)c3ccc(Br)cc3)C2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 14/20 0.70
▸ MEN1 O00255 13/20 0.70
▸ POLB P06746 6/20 0.61
▸ CRHBP P24387 2/20 0.61
▸ CRHR2 Q13324 2/20 0.61
▸ NSD2 O96028 1/20 0.59
▸ MAPT P10636 7/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ MITF O75030 1/20 0.57
▸ NCOA3 Q9Y6Q9 1/20 0.57
▸ DUSP26 Q9BV47 1/20 0.54
▸ BCL2 P10415 1/20 0.52
▸ MCL1 Q07820 1/20 0.52
▸ ALPL P05186 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ CACNA1B Q00975 1/20 0.52
▸ APBA1 Q02410 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ NPSR1 Q6W5P4 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
SCHEMBL18102931 0.77 KMT2A (0.72) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL20005602 0.77 KMT2A (0.72) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL18103048 0.75 KMT2A (0.64) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL12008472 0.73 MAPT (1.00) KMT2AMEN1CRHBPCRHR2MAPT
SCHEMBL15869553 0.72 KMT2A (0.67) KMT2AMEN1POLBMAPTALPL
SCHEMBL15863656 0.72 KMT2A (0.67) KMT2AMEN1POLBMAPTALPL
SCHEMBL15863655 0.72 KMT2A (0.67) KMT2AMEN1POLBMAPTALPL
SCHEMBL6720203 0.72 MEN1 (0.85) KMT2AMEN1POLBCRHBPCRHR2
SCHEMBL12008473 0.71 MAPT (0.88) KMT2AMEN1CRHBPCRHR2MAPT
SCHEMBL6884990 0.71 MAPT (0.71) KMT2AMEN1POLBCRHBPCRHR2

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-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
WO-2016154255-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME UNIVERSITY OF MIAMI (US) 2016-09-29 — — WO 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 (1 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-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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