Toluene

Toluene

SCHEMBL6553535

CC(C)N(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])S(=O)(=O)O.Cc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CYP19A1 P11511 1/20 0.42
CES2 O00748 1/20 0.40
ACHE P22303 2/20 0.40
TSHR P16473 2/20 0.40
PTPRC P08575 2/20 0.40
BCHE P06276 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
SCHEMBL6553197 0.81 POLB (0.51) ALDH1A1CYP3A4MEN1KMT2ACYP19A1
SCHEMBL6553172 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL7182288 0.70 POLB (0.56) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL5954207 0.70 ALDH1A1 (0.50) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
Toluene SCHEMBL29036400 0.70 CRHBP (0.57) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL5518040 0.70 ALDH1A1 (0.52) ALDH1A1MAPK1CYP1A2CRHBPCRHR2
SCHEMBL5518041 0.70 ALDH1A1 (0.52) ALDH1A1MAPK1CYP1A2CRHBPCRHR2
Trinitrophenol SCHEMBL28048084 0.70 GPR35 (0.64) ALDH1A1MAPK1CYP1A2CYP2C9HIF1A
SCHEMBL28468319 0.69 KMT2A (0.55) ALDH1A1MAPK1CYP1A2CYP3A4CYP2D6
SCHEMBL5697787 0.69 ALDH1A1 (0.49) ALDH1A1MAPK1CYP1A2HIF1ACRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP claimed
EP-1174028-B1 SULFONAMIDE DERIVATIVES SUMITOMO CHEM TAKEDA AGRO CO (JP) 2004-12-22 EP disclosed
US-20040023938-A1 Sulfonamide derivatives TABUCHI TAKANORI (JP) 2004-02-05 US disclosed
US-6586617-B1 Nontoxic microbiocides such as 4'-chloro-N-ethyl-2'-nitro-p-toluenesulfonanilide, for agricultural or horticultural, prepared by alkylation or nitration SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2003-07-01 US disclosed
EP-1174028-A1 SULFONAMIDE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-01-23 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 (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-20040023938-A1 Sulfonamide derivatives FPR1, MRM1, SULT1E1 ALDH1A1 453/4885MAPK1 1226/4885CYP1A2 1110/4885

“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.