SCHEMBL23915311

SCHEMBL23915311

Nc1cc(F)c(OCC(F)F)cc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.36
BACE2 Q9Y5Z0 3/20 0.36
REN P00797 2/20 0.36
CTSD P07339 2/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
G6PD P11413 1/20 0.31
ALOX15 P16050 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
SCHEMBL29560507 0.90 BACE1 (0.35) BACE1BACE2RENCTSDHTR2A
SCHEMBL20355245 0.90 BACE1 (0.35) BACE1BACE2RENCTSDHTR2A
SCHEMBL23914961 0.79 MAPT (0.42) ALDH1A1MEN1MAPTALOX15KMT2A
SCHEMBL23915317 0.78 MAOA (0.40) HTR2AHTR2CHTR2BALDH1A1GAA
SCHEMBL30271319 0.78 HTR2C (0.36) BACE1BACE2RENCTSDHTR2A
SCHEMBL5019020 0.77 GAA (0.47) BACE1BACE2RENCTSDHTR2A
SCHEMBL5952271 0.75 MAPT (0.48) ALDH1A1GAAKDM4EMEN1USP2
SCHEMBL23909016 0.74 MBOAT4 (0.36) ALDH1A1KDM4EUSP2
SCHEMBL21608759 0.74 BACE1 (0.33) BACE1BACE2RENCTSDHTR2A
SCHEMBL29778825 0.74 BACE1 (0.33) BACE1BACE2RENCTSDHTR2A

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 BACE1 1624/4885BACE2 2403/4885REN 431/4885

“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.