SCHEMBL4693019

SCHEMBL4693019

O=C(c1ccccc1Br)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ LMNA P02545 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.57
▸ ATM Q13315 1/20 0.57
▸ CTSD P07339 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ ALPL P05186 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL975117 0.89 ALDH1A1 (0.68) ALDH1A1MAPTCTSDMEN1KMT2A
SCHEMBL8674784 0.84 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHSP90AA1ATM
SCHEMBL8674787 0.81 ALDH1A1 (0.54) ALDH1A1MAPTLMNAHSP90AA1ATM
SCHEMBL1681866 0.80 PRNP (0.53) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL29470997 0.80 PRNP (0.53) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL11282500 0.80 KCNMA1 (0.59) ALDH1A1MAPTLMNACTSDMEN1
SCHEMBL5705801 0.80 TSHR (0.59) ALDH1A1MAPTLMNACTSDMEN1
SCHEMBL11300388 0.79 MEN1 (0.58) ALDH1A1MAPTLMNACTSDMEN1
SCHEMBL30201466 0.79 MEN1 (0.58) ALDH1A1MAPTLMNACTSDMEN1
SCHEMBL8575758 0.79 CTSD (0.57) ALDH1A1MAPTCTSDRAB9ANPC1

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 11 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
US-4018788-A 6-(O-Halophenyl)-1-methyl-4H-s-triazolo[4,3-a][1,4]-benzodiazepine THE UPJOHN COMPANY (US) 1977-04-19 — — US 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 ALDH1A1 873/4885MAPT 4794/4885LMNA 4109/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R ALDH1A1 2564/4885MAPT 4533/4885LMNA 4755/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 ALDH1A1 2682/4885MAPT 4459/4885LMNA 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.

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