SCHEMBL20006030

SCHEMBL20006030

C=C1SC(=S)N(c2ccccc2OCC)C1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.40
HTT P42858 2/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ESR1 P03372 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.38
CACNA2D1 P54289 1/20 0.38
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8684086 0.75 NR1H2 (0.39) ALDH1A1MAPTHTTGAATSHR
SCHEMBL20005698 0.75 GAA (0.58) ALDH1A1MAPTHTTGAAL3MBTL1
SCHEMBL18102922 0.74 DUSP26 (0.58) ALDH1A1MAPTGAATDP1BCL2
SCHEMBL11872977 0.73 NPC1 (0.59) ALDH1A1MAPTHTTHSD17B10GAA
SCHEMBL18102925 0.73 MEN1 (0.68) ALDH1A1MAPTGAAL3MBTL1TDP1
SCHEMBL8682490 0.72 FFAR1 (0.36) GAATSHRBCL2MCL1KMT2A
SCHEMBL8712071 0.71 MGLL (0.50) ALDH1A1MAPTHTTHSD17B10GAA
SCHEMBL3691135 0.71 MGLL (0.66) ALDH1A1MAPTHTTHSD17B10L3MBTL1
SCHEMBL10640952 0.70 ALDH1A1 (0.54) ALDH1A1MAPTHTTHSD17B10GAA
SCHEMBL20261776 0.69 ALDH1A1 (0.45) ALDH1A1MAPTHTTHSD17B10GAA

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 ALDH1A1 2177/4885MAPT 3938/4885HTT 3720/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 ALDH1A1 2177/4885MAPT 3938/4885HTT 3720/4885

“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.