Toluene

Toluene

SCHEMBL717526

CCOC(=O)N=NC(=O)OCC.Cc1ccccc1

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
PIN1 Q13526 2/20 0.44
ACHE P22303 2/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
HSD17B10 Q99714 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 SCHEMBL717525 1.00 TSHR (0.48) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11795376 0.83 KMT2A (0.47) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10877958 0.83 MAPT (0.50) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4398048 0.83 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
Toluene SCHEMBL26121009 0.83 TSHR (0.44) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL11795381 0.83 KMT2A (0.47) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10877963 0.83 MAPT (0.50) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL15843753 0.83 ALDH1A1 (0.56) TSHRALDH1A1KMT2AGAAPOLB
SCHEMBL15843754 0.83 ALDH1A1 (0.56) TSHRALDH1A1KMT2AGAAPOLB
SCHEMBL263877 0.83 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101336-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND 国立大学法人京都大学 2024-05-16 WO disclosed
US-20230331724-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2023-10-19 US disclosed
US-11731971-B2 Processes for preparing a diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2023-08-22 US disclosed
CN-110475775-B 4-pyridone compound or salt thereof, pharmaceutical composition containing 4-pyridone compound, and agent 富士胶片株式会社 2023-05-09 CN disclosed
US-20220402935-A1 HETEROCYCLIC COMPOUND FIMECS, INC. (JP) 2022-12-22 US disclosed
EP-4006037-A1 HETEROCYCLIC COMPOUND Fimecs, Inc. (JP) 2022-06-01 EP disclosed
US-20210371419-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-12-02 US disclosed
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same FUJIFILM CORPORATION (JP) 2021-11-02 US disclosed
EP-3604301-B1 4-PYRIDONE COMPOUND OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION AND FORMULATION INCLUDING SAME FUJIFILM CORP (JP) 2021-09-22 EP disclosed
US-11117896-B2 Processes for preparing a diazabicyclooctane compound MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-09-14 US disclosed
WO-2005095395-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2005-10-13 WO disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 EP disclosed
US-20050148624-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-07-07 US disclosed
WO-2005042488-A1 PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 WO disclosed
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 US disclosed
EP-1484320-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2004-12-08 EP disclosed
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
EP-1070714-B1 AMIDINE COMPOUNDS JAPAN TOBACCO INC (JP) 2004-08-04 EP disclosed
US-20040006099-A1 Amidine compounds JAPAN TOBACCO INC. 2004-01-08 US disclosed
US-6562828-B1 Novel amidine compound having a blood coagulation factor Xa inhibitory activity JAPAN TOBACCO INC. (JP) 2003-05-13 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 (9 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-11731971-B2 Processes for preparing a diazabicyclooctane compound FN1, BMP1, AZI2 TSHR 1888/4885ALDH1A1 1362/4885SMN1; SMN2 702/4885
US-20050148624-A1 Jnk inhibitor MAPK3, MAPKAPK3, MAPK1 TSHR 2858/4885ALDH1A1 4549/4885SMN1; SMN2 4193/4885
US-20040006099-A1 Amidine compounds F2, SERPINC1, F12 TSHR 389/4885ALDH1A1 1115/4885SMN1; SMN2 1883/4885
US-11161830-B2 4-pyridone compound or salt thereof, and pharmaceutical composition and formulation including same HAVCR2, HBS1L, PHKB TSHR 3112/4885ALDH1A1 2347/4885SMN1; SMN2 4557/4885
US-20210371419-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND FN1, BMP1, AZI2 TSHR 1888/4885ALDH1A1 1362/4885SMN1; SMN2 702/4885
US-20050014787-A1 5-amidino-2-hydroxybenzenesulfonamide derivatives medicinal compoistions containing the same medicinal use thereof and intermediates in the production thereof F2, HYPK, F10 TSHR 1275/4885ALDH1A1 3117/4885SMN1; SMN2 1472/4885
US-20230331724-A1 PROCESSES FOR PREPARING A DIAZABICYCLOOCTANE COMPOUND FN1, BMP1, AZI2 TSHR 1888/4885ALDH1A1 1362/4885SMN1; SMN2 702/4885
US-20220402935-A1 HETEROCYCLIC COMPOUND IRAK1, IRAK2, IRAK4 TSHR 2793/4885ALDH1A1 927/4885SMN1; SMN2 3105/4885
US-11117896-B2 Processes for preparing a diazabicyclooctane compound FN1, BMP1, AZI2 TSHR 1888/4885ALDH1A1 1362/4885SMN1; SMN2 702/4885

“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.