Sugi Predict

Sugi Predict / Compounds / Toluene

Toluene

Toluene

SCHEMBL2960642

CCN(CC)CC.CCOC(C)=O.Cc1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ LMNA P02545 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ TSHR P16473 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ CHRM2 P08172 2/20 0.42
▸ CHRM1 P11229 2/20 0.42
▸ CHRM3 P20309 2/20 0.42
▸ CHRM4 P08173 1/20 0.42
▸ CHRM5 P08912 1/20 0.42
▸ PIN1 Q13526 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 1/20 0.40

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 SCHEMBL5178478 0.98 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10TSHRCYP1A2
Toluene SCHEMBL9305273 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL9466202 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL14353557 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL1405615 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL8533815 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL2479008 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL6453722 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL21490912 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1
Toluene SCHEMBL15348475 0.91 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102918052-A Ribonucleoside phosphorothioate manufacturing method UNIV TOKYO 2013-02-06 — — CN disclosed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 — — US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 — — US disclosed
CN-100493589-C Herbal preparation for arthritis HONG KONG JOCKEY CLUB INST OF (HK) 2009-06-03 — — CN disclosed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 — — US disclosed
EP-1019358-B2 3,3-DIARYLPROPYLAMINES , THEIR USE AND PREPARATION PFIZER HEALTH AB (SE) 2007-09-12 — — EP disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 — — US disclosed
US-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 — — US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 — — US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 — — US disclosed
US-5212319-A Intermediates to 4-amino-hexahydrobenz[cd]indoles and processes therefor ELI LILLY AND COMPANY (US) 1993-05-18 — — US disclosed
US-5204340-A Anxiolytic agents; antidepressants; consumptive disorders,e.g. obesity, alcoholism and smoking; sexual dysfunction ELI LILLY AND COMPANY (US) 1993-04-20 — — US disclosed
US-5149698-A Pyrimidinyl alkyleneoxy bronchodilator agent GLAXO GROUP LIMITED (GB) 1992-09-22 — — US disclosed
US-5144018-A Antiviral Agents RIKAGAKU KENKYUSHO (JP) 1992-09-01 — — US disclosed
WO-1992007821-A1 DIASTEREOISOMERS OF BICYCLO-SUBSTITUTED PHENYLACETONITRILE DERIVATIVES G.D. SEARLE & CO. (US) 1992-05-14 — — WO disclosed
US-5101026-A GANGLIOSIDE RELATED COMPOUNDS AND METHOD OF PRODUCING THE SAME MECT CORPORATION (JP) 1992-03-31 — — US disclosed
EP-0444851-A2 Hexahydrobenz[CD]indoles and processes for preparation thereof ELI LILLY AND COMPANY (US) 1991-09-04 — — EP disclosed
US-4996218-A Bronchodilator, antiulcer agent, cardiovascular disorders GLAXO GROUP LIMITED (GB) 1991-02-26 — — US disclosed
EP-0311694-A1 NUCLEOSIDE DERIVATIVES AND PROCESS FOR THEIR PREPARATION RIKAGAKU KENKYUSHO (JP) 1989-04-19 — — EP disclosed
EP-0303464-A2 Chloroaniline derivatives GLAXO GROUP LIMITED (GB) 1989-02-15 — — 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-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B ALDH1A1 557/4885LMNA 1440/4885HSD17B10 2734/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E ALDH1A1 539/4885LMNA 969/4885HSD17B10 2975/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E ALDH1A1 534/4885LMNA 926/4885HSD17B10 2588/4885

“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.