SCHEMBL4745174

SCHEMBL4745174

C=CCc1ccccc1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
ALDH1A1 P00352 4/20 0.47
LMNA P02545 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALPL P05186 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL474921 0.84 GABRA1 (0.47) ALDH1A1TSHRCYP1A2CYP3A4KDM4E
Bicarbonate SCHEMBL28219371 0.81 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1TSHR
SCHEMBL30367918 0.81 ALDH1A1 (0.58) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL1135905 0.81 ALDH1A1 (0.58) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL975117 0.80 ALDH1A1 (0.68) CTSDALDH1A1NPC1RAB9AL3MBTL1
Bromide SCHEMBL28506426 0.79 ALDH1A1 (0.56) ALDH1A1LMNANPC1RAB9AL3MBTL1
SCHEMBL8978449 0.79 TSHR (0.44) CTSDALDH1A1LMNANPC1RAB9A
SCHEMBL4745178 0.77 L3MBTL1 (0.43) ALDH1A1L3MBTL1TSHRKDM4EMAPT
SCHEMBL11244618 0.76 GSTA1 (0.45) ALDH1A1LMNATSHRCYP1A2CYP3A4
SCHEMBL3805421 0.76 AKR1C3 (0.48) ALDH1A1TSHRCYP3A4CYP2C9MAPT

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 CTSD 1086/4885ALDH1A1 873/4885LMNA 4109/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R CTSD 4258/4885ALDH1A1 2564/4885LMNA 4755/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 CTSD 3789/4885ALDH1A1 2682/4885LMNA 4805/4885

“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.