Sugi Predict

Sugi Predict / Compounds / SCHEMBL413781

SCHEMBL413781

SCHEMBL413781

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.62
▸ GSK3B P49841 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ MAPK1 P28482 2/20 0.57
▸ POLB P06746 1/20 0.57
▸ CES1 P23141 1/20 0.55
▸ ALDH1A1 P00352 3/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ TSHR P16473 2/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ CA12 O43570 1/20 0.51
▸ CA9 Q16790 1/20 0.51
▸ CA14 Q9ULX7 1/20 0.51

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
SCHEMBL439 0.87 LOXL2 (0.61) GSK3BPOLBALDH1A1TSHRCYP2C19
SCHEMBL8095914 0.85 SRD5A2 (0.67) SRD5A2GSK3BLMNAGAAL3MBTL1
SCHEMBL8094198 0.85 SRD5A2 (0.67) SRD5A2GSK3BLMNAGAAL3MBTL1
SCHEMBL8094269 0.85 SRD5A2 (0.67) SRD5A2GSK3BLMNAGAAL3MBTL1
SCHEMBL9018930 0.85 SRD5A2 (0.67) SRD5A2GSK3BLMNAGAAL3MBTL1
SCHEMBL8094425 0.85 SRD5A2 (0.67) SRD5A2GSK3BLMNAGAAL3MBTL1
Phosphine SCHEMBL10925110 0.85 LOXL2 (0.59) GSK3BPOLBALDH1A1TSHRCYP2C19
SCHEMBL4619209 0.85 LOXL2 (0.59) GSK3BPOLBALDH1A1TSHRCYP2C19
SCHEMBL10723714 0.84 SRD5A2 (0.83) SRD5A2GSK3BLMNAGAAL3MBTL1
SCHEMBL975118 0.84 SRD5A2 (0.83) SRD5A2GSK3BLMNAGAAL3MBTL1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403825-B1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD (GB) 2019-09-11 — — EP disclosed
US-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 — — US disclosed
US-9193678-B2 Chemical agents capable of forming covalent 3-D networks OXFORD ADVANCED SURFACES LTD (GB) 2015-11-24 — — US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 — — US disclosed
US-20120021223-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD. (GB) 2012-01-26 — — US disclosed
EP-2403825-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS Oxford Advanced Surfaces Ltd (GB) 2012-01-11 — — EP disclosed
WO-2010100413-A2 CROSS-LINKABLE POLYMERS OXFORD ADVANCED SURFACES LTD (GB) 2010-09-10 — — WO disclosed
WO-2010100410-A1 CHEMICAL AGENTS CAPABLE OF FORMING COVALENT 3-D NETWORKS OXFORD ADVANCED SURFACES LTD (GB) 2010-09-10 — — WO disclosed
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-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
EP-0733633-B1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-05-28 — — EP 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-5753664-A ANTITUMOR AGENTS, PYRIMIDONES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-19 — — US disclosed
EP-0733633-A1 Heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-25 — — 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 (2 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 SRD5A2 638/4885GSK3B 4130/4885LMNA 4109/4885
US-20030036655-A1 2-(substituted-phenyl)amino-imidazoline derivatives GIPR, TBXA2R, GRK2 SRD5A2 861/4885GSK3B 2999/4885LMNA 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.