SCHEMBL4690724

SCHEMBL4690724

O=[N+]([O-])c1cccc(Br)c1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP19A1 P11511 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
EGFR P00533 1/20 0.39
RECQL P46063 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
SCHEMBL16519973 0.88 TDP1 (0.48) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3211253 0.80 NPC1 (0.50) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL27315010 0.80 TDP1 (0.41) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL27611660 0.80 HSD17B10 (0.56) TDP1ALDH1A1MEN1KMT2AMAPT
SCHEMBL27676532 0.80 GPR35 (0.51) TDP1MEN1KMT2AKDM4EMAPT
SCHEMBL4692661 0.80 PDE7A (0.46) TDP1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6174855 0.80 CRHBP (0.41) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL162263 0.79 TDP1 (0.47) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL29704507 0.79 TDP1 (0.47) TDP1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4690711 0.78 KMT2A (0.48) TDP1ALDH1A1MEN1KMT2AKDM4E

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 TDP1 2963/4885ALDH1A1 873/4885MEN1 4692/4885
US-20040122053-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, GRK2, TBXA2R TDP1 3471/4885ALDH1A1 2564/4885MEN1 1657/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 TDP1 3302/4885ALDH1A1 2682/4885MEN1 1906/4885

“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.