SCHEMBL4003071

SCHEMBL4003071

CCc1cccc(NC(=O)CCl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.66
MAPK1 P28482 2/20 0.64
HDAC3 O15379 2/20 0.64
HDAC4 P56524 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC7 Q8WUI4 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC9 Q9UKV0 2/20 0.64
HDAC5 Q9UQL6 2/20 0.64
HPGD P15428 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.61
NPSR1 Q6W5P4 1/20 0.59
GAA P10253 4/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57

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
SCHEMBL29128669 0.88 MAPT (0.56) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL9410518 0.86 MAPT (0.69) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL7894861 0.85 MAPT (0.68) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL2636652 0.85 NPSR1 (0.61) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL11802189 0.84 ALDH1A1 (0.67) MAPTMAPK1SMN1; SMN2NPSR1GAA
SCHEMBL24538415 0.83 MAPT (0.75) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL9308750 0.83 MAPT (0.66) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL28041453 0.83 NPSR1 (0.59) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL8324505 0.83 MAPT (0.66) MAPTMAPK1HDAC3HDAC4HDAC1
SCHEMBL8996654 0.82 MAPT (0.64) MAPTMAPK1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528134-B2 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES INC. (US) 2009-05-05 US disclosed
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction BHATIA PRAMILA A 2006-01-12 US disclosed
EP-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2004-02-12 US disclosed
US-20030229094-A1 Acetamides and benzamides that are useful in treating sexual dysfunction ABBOTT LABORATORIES 2003-12-11 US disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO 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 MAPT 3896/4885MAPK1 2344/4885HDAC3 926/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MAPT 3896/4885MAPK1 2344/4885HDAC3 926/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MAPT 3453/4885MAPK1 3775/4885HDAC3 817/4885

“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.