SCHEMBL4687773

SCHEMBL4687773

CN(C)S(=O)(=O)c1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA9 Q16790 4/20 0.56
CA12 O43570 3/20 0.56
CA14 Q9ULX7 2/20 0.56
ALDH1A1 P00352 3/20 0.52
TSHR P16473 3/20 0.52
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 5/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.46
CA7 P43166 2/20 0.44
MPO P05164 1/20 0.43
CYP2C9 P11712 1/20 0.43
HTR6 P50406 1/20 0.43
LOX P28300 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL519624 0.88 LMNA (0.59) CA1CA2CA9CA12CA14
Hydrochloric Acid SCHEMBL11880596 0.86 LMNA (0.57) CA1CA2CA9CA12CA14
SCHEMBL3082587 0.82 CA12 (0.57) CA1CA2CA9CA12CA14
Phosphonic Acid SCHEMBL10524558 0.79 LMNA (0.50) CA1CA2CA9CA12CA14
SCHEMBL2861660 0.79 CA2 (0.60) CA1CA2CA9CA12CA14
SCHEMBL1146125 0.79 PSIP1 (0.59) CA1CA2CA9CA12CA14
SCHEMBL7858527 0.78 TSHR (0.73) CA1CA2CA9CA12CA14
Dapsone SCHEMBL10353007 0.78 TSHR (0.73) CA1CA2CA9CA12CA14
SCHEMBL10595490 0.78 TSHR (0.73) CA1CA2CA9CA12CA14
SCHEMBL11556907 0.78 TSHR (0.52) CA1CA2CA9CA12CA14

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902018-B1 2-(Arylphenyl)amino-imidazoline derivatives HOFFMANN LA ROCHE (CH) 2008-07-23 EP disclosed
US-7141584-B2 guanidine derivatives containing phenyl and imidazole rings; useful for treating pain conditions from a wide variety of causes such as cancer, trauma, surgery, inflammation etc. ROCHE PALO ALTO LLC (US) 2006-11-28 US disclosed
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2004-06-24 US disclosed
US-6693200-B2 IP RECEPTOR ANTAGONISTS; ANTIINFLAMMATORIES AND ANALGESICS SYNTEX (U.S.A.) LLC 2004-02-17 US disclosed
US-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors BLEY KEITH ROGER (US) 2003-12-11 US disclosed
US-6596876-B2 Prostaglandin I2 inhibitors SYNTEX (U.S.A.) LLC 2003-07-22 US disclosed
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives BLEY KEITH ROGER (US) 2003-02-20 US disclosed
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US disclosed
US-6184242-B1 2-(substituted-phenyl)amino-imidazoline derivatives SYNTEX USA (LLC) 2001-02-06 US disclosed
EP-0902018-A2 2-(Arylphenyl)amino-imidazoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 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-20030229123-A1 Antiinflammatory agents; antiallergens; lipoxygenase or phospholipase inhibitors LTB4R2, LTB4R, ALOX5 CA1 3406/4885CA2 1672/4885CA9 3844/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R CA1 1241/4885CA2 809/4885CA9 2991/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 CA1 1415/4885CA2 884/4885CA9 3114/4885

“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.