SCHEMBL31269801

SCHEMBL31269801

Nc1nccc2cc(CC(F)(F)F)sc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.34
TLR8 Q9NR97 2/20 0.34
NOS3 P29474 2/20 0.33
NOS2 P35228 2/20 0.33
F12 P00748 1/20 0.33
PLAU P00749 1/20 0.33
NCF1 P14598 1/20 0.33
NOS1 P29475 1/20 0.33
BACE1 P56817 1/20 0.33
CYP2A6 P11509 1/20 0.31
FBP1 P09467 1/20 0.30

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
SCHEMBL6457735 0.80 CYP2A6 (0.49) ROCK1TLR8NOS3NOS2F12
Trifluoroacetic Acid SCHEMBL31751110 0.77 CYP2A6 (0.38) ROCK1CYP2A6
SCHEMBL31270297 0.75 MEN1 (0.37) NOS3NOS2NCF1FBP1
SCHEMBL31269852 0.70 SLC22A12 (0.34) CYP2A6
SCHEMBL8267510 0.69 NOS2 (0.41) ROCK1TLR8NOS3NOS2F12
SCHEMBL31269878 0.66 AURKA (0.32)
SCHEMBL28253842 0.64 ALDH1A1 (0.33) FBP1
SCHEMBL16114483 0.64 HRH4 (0.41) ROCK1TLR8NOS3NOS2
SCHEMBL19320137 0.64 MEN1 (0.51)
SCHEMBL21427133 0.62 MEN1 (0.41)

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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 US claimed
US-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-12-05 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-20240400591-A1 COMPOUNDS TARGETING MUTANT OF P53 TP53, TP53BP1, MDM2 ROCK1 3147/4885TLR8 3811/4885NOS3 2575/4885

“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.