SCHEMBL18103048

SCHEMBL18103048

CCC(C)COc1ccc(C=C2SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 17/20 0.64
▸ MEN1 O00255 16/20 0.64
▸ POLB P06746 7/20 0.64
▸ ALPL P05186 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MAPT P10636 8/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ LMNA P02545 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PKM P14618 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.51
▸ THRB P10828 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ PSMD14 O00487 1/20 0.51
▸ TNNI3 P19429 1/20 0.51
▸ TNNT2 P45379 1/20 0.51
▸ TNNC1 P63316 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL21586141 0.88 BCL2L2 (0.48) KMT2AMEN1POLBMAPTPKM
SCHEMBL15863656 0.76 KMT2A (0.67) KMT2AMEN1POLBALPLL3MBTL1
SCHEMBL15863655 0.76 KMT2A (0.67) KMT2AMEN1POLBALPLL3MBTL1
SCHEMBL15869553 0.76 KMT2A (0.67) KMT2AMEN1POLBALPLL3MBTL1
SCHEMBL18102995 0.75 KMT2A (0.70) KMT2AMEN1POLBALPLL3MBTL1
SCHEMBL31707337 0.74 MAPT (0.77) KMT2AMEN1POLBALPLL3MBTL1
SCHEMBL15347344 0.70 KMT2A (0.78) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL15347346 0.70 KMT2A (0.78) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL15359666 0.70 KMT2A (0.78) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL3969214 0.69 MEN1 (0.69) KMT2AMEN1POLBALPLL3MBTL1

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 4 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
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 (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.

Send feedback