SCHEMBL20653196

SCHEMBL20653196

O=C1CCCN1CCOc1ccc(-c2ccccn2)nc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PDK2 Q15119 7/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43
CTSS P25774 1/20 0.42
HPGDS O60760 1/20 0.41
RET P07949 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40

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
SCHEMBL29744050 1.00 POLB (0.53) POLBPDK2MEN1KMT2ACCNC
SCHEMBL23405958 0.96 POLB (0.49) POLBPDK2MEN1KMT2ACCNC
SCHEMBL29744046 0.96 POLB (0.49) POLBPDK2MEN1KMT2ACCNC
SCHEMBL23405937 0.89 POLB (0.57) POLBPDK2MEN1KMT2ACCNC
SCHEMBL29743908 0.89 POLB (0.57) POLBPDK2MEN1KMT2ACCNC
SCHEMBL23406112 0.86 POLB (0.53) POLBPDK2MEN1KMT2ACCNC
SCHEMBL29743914 0.86 POLB (0.53) POLBPDK2MEN1KMT2ACCNC
SCHEMBL23406022 0.85 MEN1 (0.49) POLBPDK2MEN1KMT2ACCNC
SCHEMBL29743996 0.85 MEN1 (0.49) POLBPDK2MEN1KMT2ACCNC
SCHEMBL19153568 0.82 MEN1 (0.52) POLBPDK2MEN1KMT2ACCNC

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
US-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 US disclosed
US-11377436-B2 EAAT2 enhancing molecules THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2022-07-05 US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 US disclosed
US-20210163440-A1 EAAT2 ENHANCING MOLECULES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-06-03 US disclosed
WO-2019014460-A1 EAAT2 ENHANCING MOLECULES THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2019-01-17 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-20210163440-A1 EAAT2 ENHANCING MOLECULES SLC1A2, SLC1A1, SLC1A3 POLB 3237/4885PDK2 237/4885MEN1 4867/4885
US-11377436-B2 EAAT2 enhancing molecules SLC1A2, SLC1A1, SLC1A3 POLB 3237/4885PDK2 237/4885MEN1 4867/4885

“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.