SCHEMBL5281527

SCHEMBL5281527

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

nearest known ligand 0.73

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 4/20 0.72
▸ MAPT P10636 5/20 0.70
▸ ALDH1A1 P00352 3/20 0.70
▸ LMNA P02545 2/20 0.70
▸ KDM4E B2RXH2 1/20 0.70
▸ NPSR1 Q6W5P4 1/20 0.70
▸ TDP1 Q9NUW8 1/20 0.70
▸ RAB9A P51151 2/20 0.67
▸ MITF O75030 1/20 0.67
▸ NCOA3 Q9Y6Q9 1/20 0.67
▸ CISD1 Q9NZ45 4/20 0.64
▸ MAOB P27338 3/20 0.64
▸ MEN1 O00255 2/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ MAOA P21397 2/20 0.63
▸ POLB P06746 1/20 0.60
▸ HPGD P15428 1/20 0.60

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
SCHEMBL5281537 1.00 MAPK1 (0.72) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL5281534 1.00 MAPK1 (0.72) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL20006042 0.85 MAPK1 (0.78) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL18103079 0.85 MAPK1 (0.78) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL18102846 0.85 MEN1 (0.67) MAPTALDH1A1RAB9AMITFNCOA3
SCHEMBL15816994 0.84 MAPK1 (1.00) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL15816991 0.84 MAPK1 (1.00) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL15816995 0.84 MAPK1 (1.00) MAPK1MAPTALDH1A1LMNAKDM4E
SCHEMBL18102932 0.84 CISD1 (0.76) MAPK1ALDH1A1KDM4ETDP1CISD1
SCHEMBL541143 0.83 MAPT (0.89) MAPTALDH1A1LMNAKDM4ECISD1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 — — WO claimed
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
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
WO-2007002587-A2 INHIBITORS OF EPSTEIN BARR VIRUS NUCLEAR ANTIGEN 1 THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2007-01-04 — — 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 MAPK1 2158/4885MAPT 3938/4885ALDH1A1 2177/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MAPK1 2158/4885MAPT 3938/4885ALDH1A1 2177/4885

“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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