SCHEMBL4007599

SCHEMBL4007599

CSc1cccc(NC(=O)CCl)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
POLB P06746 3/20 0.67
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
MAPT P10636 4/20 0.64
SMN1; SMN2 Q16637 6/20 0.62
TP53 P04637 1/20 0.62
MAPK1 P28482 1/20 0.62
HSD17B10 Q99714 1/20 0.62
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
GRM4 Q14833 1/20 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
SCHEMBL11820160 0.88 MEN1 (0.70) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11679178 0.85 MEN1 (0.77) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL28335090 0.85 MEN1 (1.00) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL8090356 0.84 MEN1 (0.74) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11802189 0.82 ALDH1A1 (0.67) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL11777113 0.81 MAPT (0.68) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13741334 0.81 KMT2A (0.70) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL13741525 0.80 MEN1 (0.68) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL11644158 0.80 MEN1 (0.68) MEN1KMT2APOLBALDH1A1HPGD
SCHEMBL4888533 0.80 MAPT (0.75) MEN1KMT2APOLBALDH1A1HPGD

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 9 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
US-4585774-A Aniline derivatives and cardiotonic composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-04-29 US disclosed
EP-0064878-B1 NOVEL ANILINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND CARDIOTONIC COMPOSITIONS CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-07-24 EP disclosed
EP-0064878-A1 Novel aniline derivatives, process for preparing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1982-11-17 EP 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 MEN1 2828/4885KMT2A 2169/4885POLB 3627/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 MEN1 2828/4885KMT2A 2169/4885POLB 3627/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 MEN1 3823/4885KMT2A 1792/4885POLB 3383/4885

“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.