SCHEMBL20005629

SCHEMBL20005629

Cc1ccccc1OCCOc1ccc(Cl)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.55
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
ALDH1A1 P00352 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
SLC6A3 Q01959 1/20 0.51
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ANO1 Q5XXA6 4/20 0.48
ANO2 Q9NQ90 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL15869672 0.86 SCN4A (0.56) SCN4AKDM4ETP53ALOX15ALDH1A1
SCHEMBL22135588 0.85 KDM4E (0.64) SCN4AKDM4ETP53ALOX15ALDH1A1
SCHEMBL20006073 0.85 MAPT (0.60) SCN4AKDM4ETP53ALOX15ALDH1A1
SCHEMBL4441083 0.83 SLC6A2 (0.64) SCN4ASLC6A2SLC6A4SLC6A3MAPT
SCHEMBL1592876 0.82 TDP1 (0.60) SCN4AKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL5289799 0.82 L3MBTL1 (0.59) KDM4ETP53ALDH1A1MAPTSMN1; SMN2
SCHEMBL8234481 0.81 KDM4E (0.56) SCN4AKDM4ETP53ALOX15ALDH1A1
Metaxon SCHEMBL27799919 0.81 PTGDR2 (0.66) TP53MAPTANO1ANO2NPSR1
SCHEMBL3525710 0.80 ALDH1A1 (0.57) SCN4AKDM4ETP53ALOX15ALDH1A1
SCHEMBL8295970 0.80 KDM4E (0.59) SCN4AKDM4ETP53ALOX15ALDH1A1

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 SCN4A 3911/4885KDM4E 422/4885TP53 166/4885
US-20180086700-A1 INHIBITORS OF THE NOTCH TRANSCRIPTIONAL ACTIVATION COMPLEX AND METHODS FOR USE OF THE SAME NOTCH1, CBFB, HES1 SCN4A 3911/4885KDM4E 422/4885TP53 166/4885

“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.