SCHEMBL4692769

SCHEMBL4692769

CCS(=O)(=O)N(C)c1ccc(Cc2ccc(N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.48
ALDH1A1 P00352 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
TSHR P16473 3/20 0.48
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
CA14 Q9ULX7 1/20 0.45
MAPK1 P28482 3/20 0.44
GRM2 Q14416 1/20 0.43
RECQL P46063 2/20 0.41
PSMD14 O00487 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
RAD52 P43351 1/20 0.38

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
SCHEMBL21765905 0.81 MAPT (0.45) ALDH1A1TSHRCA12CA1CA2
SCHEMBL1585951 0.75 ALDH1A1 (0.77) CYP3A4ALDH1A1TDP1TSHRCA12
SCHEMBL14226502 0.75 CYP3A4 (0.64) CYP3A4ALDH1A1TDP1TSHRCA12
SCHEMBL20389415 0.75 HSP90AA1 (0.49) CYP3A4ALDH1A1TDP1CA1CA2
SCHEMBL6325568 0.74 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1TSHRCA12
SCHEMBL7639625 0.74 CYP3A4 (0.50) CYP3A4ALDH1A1TDP1TSHRCA12
SCHEMBL10192055 0.74 MAPT (0.59) ALDH1A1TDP1TSHRCA12CA9
SCHEMBL2759074 0.73 CYP3A4 (0.55) CYP3A4ALDH1A1TDP1TSHRCA12
SCHEMBL3125016 0.72 ALDH1A1 (0.79) CYP3A4ALDH1A1TDP1TSHRMAPK1
SCHEMBL15035721 0.72 CYP3A4 (0.58) CYP3A4ALDH1A1TDP1TSHRCA12

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 CYP3A4 1259/4885ALDH1A1 873/4885TDP1 2963/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R CYP3A4 1887/4885ALDH1A1 2564/4885TDP1 3471/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 CYP3A4 1859/4885ALDH1A1 2682/4885TDP1 3302/4885

“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.