SCHEMBL23009014

SCHEMBL23009014

CC(=O)Oc1cccc(-c2cnc(N3CCN(C(=O)c4ccco4)CC3)c3nccn23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.46
ALDH1A1 P00352 11/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 4/20 0.42
GPR55 Q9Y2T6 1/20 0.42
SMO Q99835 1/20 0.42
MAPT P10636 4/20 0.42
LMNA P02545 4/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 2/20 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
SCHEMBL3466882 0.83 KDM4E (0.48) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL3466582 0.82 KDM4E (0.48) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL3470397 0.82 HTT (0.48) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL3466147 0.81 ALDH1A1 (0.55) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL3467710 0.81 KDM4E (0.46) ALDH1A1HSD17B10KDM4EGPR55SMO
SCHEMBL13344409 0.81 KDM4E (0.43) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL23008972 0.80 ALDH1A1 (0.49) ALDH1A1HSD17B10KDM4EGPR55SMO
SCHEMBL3466292 0.79 ALDH1A1 (0.56) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL3470519 0.79 ALDH1A1 (0.43) ABCB1ALDH1A1HSD17B10KDM4EGPR55
SCHEMBL3465801 0.78 ALDH1A1 (0.51) ALDH1A1HSD17B10KDM4ESMOMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-02-18 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 (1 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-20210047278-A1 E3 UBIQUITIN LIGASE AGONISTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE E3 UBIQUITIN LIGASE AGONISTS, RELATED METHODS OF USE UBE3A, NEDD4, ADRM1 ABCB1 1713/4885ALDH1A1 1174/4885HSD17B10 1309/4885

“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.