SCHEMBL4010685

SCHEMBL4010685

Cc1cc(NC(=O)CCl)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.54
TSHR P16473 3/20 0.54
ALDH1A1 P00352 8/20 0.52
SMN1; SMN2 Q16637 6/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
HTT P42858 5/20 0.50
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.49
JAK2 O60674 1/20 0.49
MITF O75030 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NOD2 Q9HC29 1/20 0.49

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
SCHEMBL4101149 0.87 KMT2A (0.56) POLBTSHRALDH1A1KMT2AMAPT
SCHEMBL10369646 0.87 KMT2A (0.68) POLBALDH1A1SMN1; SMN2HPGDKMT2A
SCHEMBL10982179 0.85 POLB (0.56) POLBTSHRALDH1A1HPGDKMT2A
SCHEMBL15886346 0.85 TSHR (0.69) POLBTSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL14466588 0.84 HDAC3 (0.55) POLBTSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL242212 0.84 TSHR (0.59) POLBTSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL6030738 0.84 POLB (0.76) POLBTSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL29678256 0.84 TSHR (0.59) POLBTSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL29417999 0.84 POLB (0.76) POLBTSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL7933600 0.83 POLB (0.54) POLBTSHRALDH1A1HPGDKMT2A

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 3627/4885TSHR 4192/4885ALDH1A1 88/4885
US-20040029887-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 POLB 3627/4885TSHR 4192/4885ALDH1A1 88/4885
US-20060009461-A1 Acetamides and benzamides that are useful in treating sexual dysfunction PDE12, NAAA, CYP19A1 POLB 3383/4885TSHR 4010/4885ALDH1A1 193/4885
US-20030232836-A1 Acetamides and benzamides that are useful in treating sexual dysfunction CATSPER1, CYP19A1, PDE12 POLB 3627/4885TSHR 4192/4885ALDH1A1 88/4885

“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.