SCHEMBL4690673

SCHEMBL4690673

Nc1ccc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
KDM1A O60341 3/20 0.59
MAOA P21397 2/20 0.59
MAOB P27338 2/20 0.59
RCOR1 Q9UKL0 2/20 0.57
MGLL Q99685 1/20 0.55
ROCK2 O75116 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52
ENPP2 Q13822 2/20 0.50
TGM2 P21980 1/20 0.49
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
PLAT P00750 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
SCHEMBL1707562 0.94 POLB (0.68) POLBTP53MAPTKDM1AMAOA
SCHEMBL10598558 0.93 POLB (0.69) POLBTP53MAPTKDM1AMAOA
SCHEMBL3784570 0.90 ROCK2 (0.66) POLBTP53MAPTKDM1AMAOA
SCHEMBL4688381 0.87 POLB (0.62) POLBTP53MAPTKDM1AMAOA
SCHEMBL8726155 0.86 POLB (0.61) POLBTP53MAPTKDM1AMAOA
SCHEMBL31043626 0.86 POLB (0.61) POLBTP53MAPTKDM1AMAOA
SCHEMBL19682897 0.84 POLB (0.62) POLBTP53MAPTKDM1AMAOA
SCHEMBL17356353 0.84 SMN1; SMN2 (0.51) POLBTP53MAPTKDM1AMAOA
SCHEMBL3942525 0.84 POLB (0.66) POLBTP53MAPTKDM1AMAOA
SCHEMBL22700779 0.83 RAB9A (0.50) POLBMAPTNPC1RAB9ASMN1; SMN2

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 12 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
CN-1110484-C 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 2003-06-04 CN 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
CN-1216762-A 2-(arylphenyl) amino-imidazoline derivatives HOFMMANN LA ROCHE AG F (CH) 1999-05-19 CN 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 POLB 3165/4885TP53 4361/4885MAPT 4794/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R POLB 4758/4885TP53 2368/4885MAPT 4533/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 POLB 4738/4885TP53 2731/4885MAPT 4459/4885

“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.