SCHEMBL4004138

SCHEMBL4004138

O=C(CCl)Nc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
LMNA P02545 4/20 0.43
NPC1 O15118 3/20 0.39
MITF O75030 2/20 0.39
RAB9A P51151 2/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 2/20 0.39
PRMT1 Q99873 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL3072029 0.82 GAA (0.61) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4443057 0.81 ALDH1A1 (0.49) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL15480437 0.74 MEN1 (0.67) GAAMEN1KMT2ATSHRMAPK1
SCHEMBL3068709 0.74 GAA (0.53) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL14172844 0.74 SMN1; SMN2 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3954552 0.74 ALDH1A1 (0.49) GAAALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL7291878 0.73 ALDH1A1 (0.53) GAAALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL20560307 0.72 GAA (0.45) GAAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL22006513 0.71 GAA (0.50) GAAMEN1KMT2ATSHRALDH1A1
SCHEMBL21810569 0.71 GAA (0.55) GAAMEN1KMT2ATSHRSMN1; SMN2

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 GAA 348/4885MEN1 2828/4885KMT2A 2169/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 GAA 348/4885MEN1 2828/4885KMT2A 2169/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 GAA 229/4885MEN1 3823/4885KMT2A 1792/4885

“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.