SCHEMBL25849456

SCHEMBL25849456

Cc1[nH]c2c(c(=O)c1-c1cccc(Oc3ccc(C(F)(F)F)cc3)c1)CCCC2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 6/20 0.41
NR1H3 Q13133 6/20 0.41
BRD4 O60885 4/20 0.41
KIF11 P52732 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.38
CREBBP Q92793 1/20 0.38
SDHB P21912 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL19047179 0.90 BRD4 (0.45) NR1H2NR1H3BRD4KIF11CREBBP
SCHEMBL25849453 0.90 BRD4 (0.41) NR1H2NR1H3BRD4CREBBP
SCHEMBL19032107 0.89 SLC2A1 (0.43) BRD4MAPTNPSR1KDM4EMEN1
SCHEMBL25849408 0.88 BRD4 (0.45) BRD4ADAMTS5CREBBPMAPTHTT
SCHEMBL25849454 0.86 SLC2A1 (0.49) BRD4CREBBPKDM4EMEN1KMT2A
SCHEMBL24046937 0.85 BRD4 (0.45) NR1H2NR1H3BRD4CREBBPTP53
SCHEMBL19047356 0.84 SLC2A1 (0.39) BRD4CREBBP
SCHEMBL25849457 0.83 BRD4 (0.44) NR1H2NR1H3BRD4ADAMTS5CREBBP
SCHEMBL25849459 0.83 BRD4 (0.41) NR1H2NR1H3BRD4CREBBPKDM4E
SCHEMBL19032127 0.82 SLC2A1 (0.41) BRD4CREBBPTP53

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-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 US disclosed
US-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites THE UNIVERSITY OF SHEFFIELD (GB) 2023-06-15 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-20230181564-A1 Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites CYP11B2, CYP11B1, COX5B NR1H2 191/4885NR1H3 238/4885BRD4 855/4885

“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.