SCHEMBL18102846

SCHEMBL18102846

CN1C(=O)C(=Cc2ccc(OCC(=O)O)cc2)SC1=S

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.67
▸ KMT2A Q03164 4/20 0.67
▸ MAPT P10636 3/20 0.62
▸ NCOA3 Q9Y6Q9 3/20 0.62
▸ AKR1B1 P15121 3/20 0.62
▸ MITF O75030 2/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ CISD1 Q9NZ45 4/20 0.61
▸ MAOB P27338 2/20 0.61
▸ MAOA P21397 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.58
▸ GPR35 Q9HC97 1/20 0.58
▸ CFTR P13569 1/20 0.58
▸ NPC1 O15118 1/20 0.57

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
SCHEMBL12008451 0.85 MAPT (0.82) MEN1KMT2AMAPTNCOA3AKR1B1
SCHEMBL5281534 0.85 MAPK1 (0.72) MEN1KMT2AMAPTNCOA3MITF
SCHEMBL5281537 0.85 MAPK1 (0.72) MEN1KMT2AMAPTNCOA3MITF
SCHEMBL5281527 0.85 MAPK1 (0.72) MEN1KMT2AMAPTNCOA3MITF
SCHEMBL19999085 0.82 MAPT (0.77) MEN1KMT2AMAPTAKR1B1ALDH1A1
SCHEMBL6884124 0.80 BCL2L2 (0.66) MEN1KMT2AMAPTAKR1B1ALDH1A1
SCHEMBL6884127 0.80 BCL2L2 (0.66) MEN1KMT2AMAPTAKR1B1ALDH1A1
SCHEMBL18102932 0.80 CISD1 (0.76) MEN1KMT2AAKR1B1CISD1MAOB
SCHEMBL24217825 0.79 CISD1 (0.71) MEN1KMT2AMAPTCISD1MAOB
SCHEMBL12008452 0.78 AKR1B1 (0.80) MEN1KMT2AMAPTNCOA3AKR1B1

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 MEN1 846/4885KMT2A 470/4885MAPT 3938/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 MEN1 846/4885KMT2A 470/4885MAPT 3938/4885

“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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