Sugi Predict

Sugi Predict / Compounds / Toluene

Toluene

Toluene

SCHEMBL2874261

Cc1ccccc1.O=S(=O)(Cl)Cl.O=S(=O)(Cl)Cl.c1ccccc1

nearest known ligand 0.65

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX12 P18054 2/20 0.65
▸ ACHE P22303 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ TSHR P16473 1/20 0.65
▸ ALDH1A1 P00352 3/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ CA12 O43570 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ GAA P10253 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42

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
Toluene SCHEMBL14976964 1.00 ALOX12 (0.65) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL28783164 1.00 ALOX12 (0.65) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL53563 1.00 ALOX12 (0.65) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL27303187 0.97 ALOX12 (0.61) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL27554213 0.92 ALOX12 (0.61) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL27594905 0.89 LMNA (0.58) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL2780838 0.89 ALOX12 (0.58) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL1148280 0.89 LMNA (0.58) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL28369963 0.88 LMNA (0.50) ALOX12ACHELMNATSHRALDH1A1
Toluene SCHEMBL27539266 0.88 ALOX12 (0.50) ALOX12ACHELMNATSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415497-B2 N-halogenated amino compounds and derivatives NOVABAY PHARMACEUTICALS, INC. (US) 2013-04-09 — — US disclosed
US-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. 2010-12-09 — — US disclosed
EP-2120965-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES Novabay Pharmaceuticals, Inc. (US) 2009-11-25 — — EP disclosed
WO-2008083347-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES NOVABAY PHARMACEUTICALS, INC. (US) 2008-07-10 — — WO disclosed
CN-1036007-Y Pyrrole and imidazole and imidazole compound and pyridine base substituted by 1 hour benzimidazole derivatives Janssen medicine industry co ltd 1997-10-01 — — CN disclosed
US-4016153-A Monoazo dyestuff mixtures derived from 2-amino-5-nitro-thiazole and bis-hydroxyalkylamino acklanilides reacted with acid halides and amides AMERICAN COLOR & CHEMICAL CORPORATION (US) 1977-04-05 — — 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 (1 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-20100311791-A1 N-HALOGENATED AMINO COMPOUNDS AND DERIVATIVES DCTD, DDC, DAO ALOX12 4200/4885ACHE 3304/4885LMNA 3943/4885

“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.