SCHEMBL4690699

SCHEMBL4690699

O=C(c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
AKR1C3 P42330 1/20 0.68
KMT2A Q03164 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 5/20 0.58
LMNA P02545 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HTT P42858 2/20 0.58
KDM4E B2RXH2 2/20 0.58
IDE P14735 1/20 0.58
RAB9A P51151 1/20 0.58
NPC1 O15118 1/20 0.58
PHGDH O43175 1/20 0.58
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.55
PAX8 Q06710 1/20 0.55
SRD5A2 P31213 1/20 0.54

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
SCHEMBL85548 0.89 AKR1C3 (0.71) MAPTAKR1C3KMT2ATDP1ALDH1A1
SCHEMBL2742813 0.85 NPC1 (0.66) MAPTALDH1A1LMNASMN1; SMN2HTT
SCHEMBL4383897 0.83 MAPT (0.72) MAPTAKR1C3KMT2ATDP1ALDH1A1
SCHEMBL9647832 0.80 MITF (0.70) MAPTAKR1C3KMT2ATDP1ALDH1A1
SCHEMBL27847447 0.79 MAPT (0.69) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL50238 0.79 SMN1; SMN2 (0.74) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL20643538 0.79 PRKDC (0.73) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL20542656 0.79 MAPT (0.51) MAPTAKR1C3KMT2ATDP1ALDH1A1
SCHEMBL520702 0.78 KDM4E (0.69) MAPTAKR1C3KMT2AALDH1A1SMN1; SMN2
SCHEMBL3682506 0.78 AKR1C3 (0.58) MAPTAKR1C3KMT2ATDP1ALDH1A1

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 MAPT 4794/4885AKR1C3 741/4885KMT2A 4456/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R MAPT 4533/4885AKR1C3 2612/4885KMT2A 4384/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 MAPT 4459/4885AKR1C3 3036/4885KMT2A 4113/4885

“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.