SCHEMBL20005637

SCHEMBL20005637

CCOc1cc(C)cc(Br)c1OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
ALDH1A1 P00352 5/20 0.54
HTT P42858 1/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 1/20 0.46
NCOA1 Q15788 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
POLB P06746 1/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 5/20 0.43
THRB P10828 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL19732198 0.89 ACHE (0.52) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL10196371 0.85 TSHR (0.53) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL12440994 0.82 MAPT (0.51) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL12440949 0.82 MAPT (0.47) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL19732196 0.78 HSD17B10 (0.48) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL13961320 0.78 THRB (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL13429948 0.78 THRB (0.42) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL16330272 0.78 THRB (0.46) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL12435005 0.76 TSHR (0.46) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL3318902 0.76 THRB (0.44) SMN1; SMN2ALDH1A1HTTMEN1KMT2A

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 SMN1; SMN2 4111/4885ALDH1A1 2177/4885HTT 3720/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 SMN1; SMN2 4111/4885ALDH1A1 2177/4885HTT 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.