SCHEMBL25656374

SCHEMBL25656374

COC(=O)[C@H](CC(C)C)n1cccc(Br)c1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.36
ANPEP P15144 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 1/20 0.35
MCL1 Q07820 1/20 0.34
FOLH1 Q04609 1/20 0.34

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
SCHEMBL25728203 1.00 NPSR1 (0.37) NPSR1ALDH1A1MAPTPKMHPGD
SCHEMBL21459867 0.88 KDM4E (0.41) NPSR1ALDH1A1MAPTHPGDTP53
SCHEMBL24257302 0.85 ALDH1A1 (0.38) NPSR1ALDH1A1MAPTPKMHPGD
SCHEMBL24929758 0.84 ELANE (0.38) ALDH1A1MAPTHSD17B10TP53
SCHEMBL38659645 0.81 POLB (0.37) NPSR1ALDH1A1MAPTHPGDNPC1
SCHEMBL25656378 0.78 OPRK1 (0.43) NPSR1ALDH1A1MAPTHPGDALOX12
SCHEMBL25728204 0.78 OPRK1 (0.43) NPSR1ALDH1A1MAPTHPGDALOX12
SCHEMBL11876232 0.77 TRIM24 (0.37) ALDH1A1MCL1
SCHEMBL24929755 0.76 ALDH1A1 (0.34) NPSR1ALDH1A1MAPT
SCHEMBL25118202 0.76 ELANE (0.49) ALDH1A1HPGD

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-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 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-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ACE, SARS1, ACE2 NPSR1 2527/4885ALDH1A1 1636/4885MAPT 4242/4885

“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.