SCHEMBL4011328

SCHEMBL4011328

Cc1cccc(C)c1NC(=O)CCl.O=C(CCl)Nc1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
KMT2A Q03164 4/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A1 P00352 4/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 2/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 2/20 0.50
PARP1 P09874 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 2/20 0.47

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
SCHEMBL10348347 0.88 PARP1 (0.49) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL4006020 0.87 POLB (0.65) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL31023469 0.87 POLB (0.65) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL307790 0.81 MEN1 (0.62) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL4011337 0.79 POLB (0.50) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL22897574 0.79 POLB (0.50) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL10668835 0.78 SMN1; SMN2 (0.48) POLBKMT2AMEN1ALDH1A1HPGD
SCHEMBL5941054 0.77 NLRP3 (0.56) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL30502814 0.77 NLRP3 (0.56) POLBKMT2AMEN1ALDH1A1GAA
SCHEMBL4003395 0.77 EPHX2 (0.56) POLBKMT2AMEN1ALDH1A1HPGD

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 7 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-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
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 (4 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 POLB 3627/4885KMT2A 2169/4885MEN1 2828/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 POLB 3627/4885KMT2A 2169/4885MEN1 2828/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 POLB 3383/4885KMT2A 1792/4885MEN1 3823/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 POLB 3627/4885KMT2A 2169/4885MEN1 2828/4885

“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.