SCHEMBL6798202

SCHEMBL6798202

CC(=O)OCNC(=O)c1cccc(C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
ATM Q13315 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
KCNK3 O14649 1/20 0.51
KCNH2 Q12809 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49

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
SCHEMBL4155662 0.92 HPGD (0.54) HDAC8HDAC6RAB9ANPC1ATM
SCHEMBL4008989 0.83 MEN1 (0.53) ATMSMN1; SMN2ALDH1A1MAPTHTT
SCHEMBL10605827 0.82 HDAC8 (0.65) HDAC8HDAC6RAB9ANPC1ATM
SCHEMBL3943418 0.82 GAA (0.57) HDAC6RAB9ANPC1SMN1; SMN2POLB
SCHEMBL4005311 0.80 TDP1 (0.55) HDAC6RAB9ANPC1SMN1; SMN2POLB
SCHEMBL5857587 0.79 HDAC8 (0.61) HDAC8HDAC6RAB9ANPC1ATM
SCHEMBL1360195 0.78 HDAC8 (0.65) HDAC8HDAC6RAB9ANPC1ATM
SCHEMBL13018952 0.77 ATM (0.65) HDAC8HDAC6RAB9ANPC1ATM
SCHEMBL12867 0.76 NPC1 (0.64) HDAC8HDAC6RAB9ANPC1ATM
SCHEMBL13144463 0.76 MAPK1 (0.62) HDAC8HDAC6RAB9ANPC1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-18 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 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 (3 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-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HDAC8 341/4885HDAC6 280/4885RAB9A 3133/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HDAC8 341/4885HDAC6 280/4885RAB9A 3133/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 HDAC8 341/4885HDAC6 280/4885RAB9A 3133/4885

“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.