SCHEMBL4688381

SCHEMBL4688381

O=C(Nc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
MGLL Q99685 2/20 0.59
TP53 P04637 2/20 0.58
MAPT P10636 2/20 0.58
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
KDM1A O60341 2/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
ROCK2 O75116 1/20 0.55
RCOR1 Q9UKL0 1/20 0.55
ENPP2 Q13822 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.53
ATM Q13315 1/20 0.53

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
SCHEMBL10598558 0.94 POLB (0.69) POLBMGLLTP53MAPTMAOA
SCHEMBL10595799 0.87 POLB (0.73) POLBMGLLTP53MAPTMAOA
Benzyl Phenylcarbamate SCHEMBL1222943 0.87 POLB (0.78) POLBMGLLTP53MAPTMAOA
SCHEMBL31043626 0.87 POLB (0.61) POLBMGLLTP53MAPTMAOA
SCHEMBL8726155 0.87 POLB (0.61) POLBMGLLTP53MAPTMAOA
SCHEMBL4690673 0.87 POLB (0.61) POLBMGLLTP53MAPTMAOA
SCHEMBL2891493 0.84 SMN1; SMN2 (0.71) POLBTP53MAPTMAOAMAOB
SCHEMBL9080564 0.83 POLB (0.68) POLBMGLLTP53MAPTMAOA
SCHEMBL27562443 0.83 POLB (0.68) POLBMGLLTP53MAPTMAOA
SCHEMBL14055557 0.83 POLB (0.68) POLBMGLLTP53MAPTMAOA

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 POLB 3165/4885MGLL 111/4885TP53 4361/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R POLB 4758/4885MGLL 2911/4885TP53 2368/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 POLB 4738/4885MGLL 2976/4885TP53 2731/4885

“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.