SCHEMBL4685906

SCHEMBL4685906

CN(C)S(=O)(=O)c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
CA12 O43570 4/20 0.60
CA1 P00915 4/20 0.60
CA2 P00918 4/20 0.60
CA9 Q16790 4/20 0.60
CA14 Q9ULX7 4/20 0.60
CA3 P07451 3/20 0.60
CA4 P22748 3/20 0.60
CA6 P23280 3/20 0.60
CA5A P35218 3/20 0.60
CA7 P43166 3/20 0.60
CA13 Q8N1Q1 3/20 0.60
CA5B Q9Y2D0 3/20 0.60
ATM Q13315 1/20 0.56
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
PKM P14618 1/20 0.50
PDE2A O00408 1/20 0.50
PDE5A O76074 1/20 0.50

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
SCHEMBL1164063 0.89 CA1 (0.72) ALDH1A1CA12CA1CA2CA9
SCHEMBL11558350 0.80 CA9 (0.60) ALDH1A1CA12CA1CA2CA9
SCHEMBL11247493 0.80 ALDH1A1 (0.73) ALDH1A1CA12CA1CA2CA9
SCHEMBL8087428 0.80 POLB (0.76) ALDH1A1CA12CA1CA2CA9
SCHEMBL8094050 0.80 POLB (0.76) ALDH1A1CA12CA1CA2CA9
SCHEMBL44366 0.80 POLB (0.76) ALDH1A1CA12CA1CA2CA9
SCHEMBL4687773 0.77 CA1 (0.56) ALDH1A1CA12CA1CA2CA9
SCHEMBL4689723 0.77 CA1 (0.63) ALDH1A1CA12CA1CA2CA9
SCHEMBL18029396 0.76 CA9 (0.64) ALDH1A1CA12CA1CA2CA9
SCHEMBL4349260 0.76 CA12 (0.50) ALDH1A1CA12CA1CA2CA9

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 ALDH1A1 873/4885CA12 4487/4885CA1 3406/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R ALDH1A1 2564/4885CA12 3393/4885CA1 1241/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 ALDH1A1 2682/4885CA12 3792/4885CA1 1415/4885

“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.