SCHEMBL20508337

SCHEMBL20508337

O=CCc1nc(Br)ccc1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21591606 0.78
Formic Acid SCHEMBL28988550 0.78 KDM4E (0.39) ERN1KDM4EALDH1A1USP2HPGD
SCHEMBL3869526 0.77 CTSL (0.32)
SCHEMBL1585113 0.77 S1PR4 (0.32)
SCHEMBL11918448 0.75 ALDH1A1 (0.57) KDM4EALDH1A1USP2HPGDHSD17B10
SCHEMBL3645829 0.74 KDM4E (0.33) KDM4EALDH1A1USP2HPGDHSD17B10
SCHEMBL21591717 0.70
SCHEMBL15990229 0.69 ERN1 (0.41) ERN1KDM4EL3MBTL1
SCHEMBL23089226 0.69 KDM4E (0.42) KDM4EALDH1A1USP2HPGDHSD17B10
SCHEMBL29814600 0.69 KDM4E (0.42) KDM4EALDH1A1USP2HPGDHSD17B10

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-10227328-B2 Heterocyclic compound and pharmaceutical composition comprising same BEYONDBIO INC. (KR) 2019-03-12 US disclosed
US-20180273510-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME BEYONDBIO INC. (KR) 2018-09-27 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-10227328-B2 Heterocyclic compound and pharmaceutical composition comprising same CDK5, CDK1, CDK4 ERN1 1845/4885KDM4E 564/4885ALDH1A1 2920/4885
US-20180273510-A1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CDK5, CDK1, CDK4 ERN1 1845/4885KDM4E 564/4885ALDH1A1 2920/4885

“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.