Toluene

Toluene

SCHEMBL19252764

Cc1ccccc1.c1ccc2c(c1)ncc1cc[nH]c12

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
GPR3 P46089 1/20 0.44
RAD52 P43351 1/20 0.43
SMARCA2 P51531 1/20 0.43
HTR6 P50406 2/20 0.43
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ELANE P08246 1/20 0.39
CYP1A2 P05177 2/20 0.39
TLR7 Q9NYK1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
KDM1A O60341 1/20 0.37
TNKS O95271 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL455351 0.90 KDM4E (0.53) KDM4EGPR3RAD52SMARCA2HTR6
Iodide SCHEMBL4717590 0.89 KDM4E (0.52) KDM4EGPR3RAD52SMARCA2HTR6
SCHEMBL27673186 0.89 KDM4E (0.52) KDM4EGPR3RAD52SMARCA2HTR6
Hydrochloric Acid SCHEMBL3881151 0.89 KDM4E (0.52) KDM4EGPR3RAD52SMARCA2HTR6
Hydrochloric Acid SCHEMBL27669383 0.87 KDM4E (0.50) KDM4EGPR3RAD52SMARCA2HTR6
Hydrochloric Acid SCHEMBL28761791 0.87 KDM4E (0.50) KDM4EGPR3RAD52SMARCA2HTR6
Acetic Acid SCHEMBL18155003 0.86 KDM4E (0.43) KDM4EGPR3RAD52SMARCA2HTR6
Chlorobenzene SCHEMBL19252790 0.84 HDAC6 (0.46) KDM4EGPR3RAD52SMARCA2HTR6
Tert-Butylbenzene SCHEMBL19252767 0.84 KDM4E (0.41) KDM4EGPR3RAD52SMARCA2HTR6
SCHEMBL574757 0.82 KDM4E (0.42) KDM4EGPR3RAD52SMARCA2HTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE MONTPELLIER (FR) 2017-08-24 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-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF HTR6, HTR2C, HTR3B KDM4E 1278/4885GPR3 294/4885RAD52 1756/4885

“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.