SCHEMBL7981473

SCHEMBL7981473

CNC(=O)c1cc(F)c(F)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.56
CES1 P23141 2/20 0.56
HDAC6 Q9UBN7 5/20 0.50
HDAC1 Q13547 3/20 0.50
ANPEP P15144 1/20 0.46
GAA P10253 1/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC2 Q92769 1/20 0.45
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK1 P53350 4/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
PLAU P00749 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL23242909 0.86 HDAC6 (0.47) CES2CES1HDAC6HDAC1ANPEP
SCHEMBL1004064 0.84 HDAC6 (0.70) CES2CES1HDAC6HDAC1GAA
SCHEMBL21783935 0.83 HDAC6 (0.68) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL29055361 0.81 HDAC6 (0.46) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL38657509 0.81 HDAC1 (0.47) CES2CES1HDAC6HDAC1GAA
SCHEMBL15495188 0.81 GAA (0.48) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL1001989 0.80 HDAC6 (0.44) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL4478521 0.80 HDAC8 (0.60) HDAC6HDAC8HDAC2HPGDTSHR
SCHEMBL1002234 0.79 HDAC6 (0.44) HDAC6HDAC1GAAHDAC8HDAC2
SCHEMBL23183311 0.79 HDAC6 (0.58) HDAC6HDAC1GAAHDAC8HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF ARBUTUS BIOPHARMA CORP (CA) 2023-10-05 US disclosed
CN-115551864-A Substituted tricyclic amides, analogs thereof, and methods of using the same 爱彼特生物制药公司 2022-12-30 CN disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 US disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 WO disclosed
US-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 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 (2 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 CES2 429/4885CES1 48/4885HDAC6 532/4885
US-20230312481-A1 SUBSTITUTED (PHTHALAZIN-1-YLMETHYL)UREAS, SUBSTITUTED N-(PHTHALAZIN-1-YLMETHYL)AMIDES, AND ANALOGUES THEREOF NSD3, PML, NSD1 CES2 4573/4885CES1 2298/4885HDAC6 161/4885

“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.