SCHEMBL4745178

SCHEMBL4745178

C=CCc1cccc([N+](=O)[O-])c1C(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
VCAM1 P19320 1/20 0.43
MAOB P27338 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HCAR3 P49019 1/20 0.41
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL27907912 0.82 L3MBTL1 (0.51) L3MBTL1TDP1VCAM1MAOBMAPK1
Bicarbonate SCHEMBL28219371 0.82 ALDH1A1 (0.51) L3MBTL1ALDH1A1MEN1KMT2AHCAR3
SCHEMBL6571359 0.80 GPR35 (0.40) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL27376086 0.80 ELANE (0.39) L3MBTL1ALDH1A1MEN1KMT2APOLB
SCHEMBL1803625 0.80 SMN1; SMN2 (0.45) L3MBTL1TDP1MAPK1ALDH1A1MEN1
SCHEMBL1135905 0.78 ALDH1A1 (0.58) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL30367918 0.78 ALDH1A1 (0.58) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL4745174 0.77 CTSD (0.49) L3MBTL1TDP1ALDH1A1TSHRKDM4E
Bromide SCHEMBL28506426 0.77 ALDH1A1 (0.56) L3MBTL1TDP1ALDH1A1MEN1KMT2A
SCHEMBL3805424 0.77 AKR1C3 (0.49) ALDH1A1KMT2ATSHRPOLBELANE

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 L3MBTL1 4289/4885TDP1 2963/4885VCAM1 462/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R L3MBTL1 4796/4885TDP1 3471/4885VCAM1 1560/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 L3MBTL1 4756/4885TDP1 3302/4885VCAM1 1529/4885

“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.