SCHEMBL4003395

SCHEMBL4003395

O=C(CCl)Nc1cccc(C(F)(F)F)c1F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.56
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
POLB P06746 2/20 0.49
GAA P10253 2/20 0.48
ALDH1A1 P00352 4/20 0.46
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
PARP1 P09874 1/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BLM P54132 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL4006020 0.85 POLB (0.65) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL31023469 0.85 POLB (0.65) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL20560615 0.82 EPHX2 (0.56) EPHX2CA12CA1CA2CA9
SCHEMBL1847415 0.82 EPHX2 (0.58) EPHX2CA12CA1CA2CA9
SCHEMBL2795240 0.80 ALDH1A1 (0.49) POLBGAAALDH1A1KMT2AMEN1
SCHEMBL25037153 0.79 ALDH1A1 (0.48) EPHX2POLBALDH1A1KMT2AMEN1
SCHEMBL30038428 0.79 ALDH1A1 (0.48) EPHX2POLBALDH1A1KMT2AMEN1
SCHEMBL12144664 0.79 EPHX2 (0.57) EPHX2CA12CA1CA2CA9
SCHEMBL28380738 0.79 MEN1 (0.54) ALDH1A1KMT2AMEN1LMNAHTT
SCHEMBL2755849 0.79 CA12 (0.57) EPHX2CA12CA1CA2CA9

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 EPHX2 1688/4885CA12 1531/4885CA1 1251/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 EPHX2 1688/4885CA12 1531/4885CA1 1251/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 EPHX2 1423/4885CA12 1175/4885CA1 1568/4885

“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.