SCHEMBL5836675

SCHEMBL5836675

Nc1ccc(-n2ccc(-n3cccn3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
HDAC4 P56524 1/20 0.36
NLRP3 Q96P20 3/20 0.36
TDO2 P48775 1/20 0.36
CHRNA7 P36544 1/20 0.35
CHRNA10 Q9GZZ6 1/20 0.35
CHRNA9 Q9UGM1 1/20 0.35
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
POLB P06746 1/20 0.35
MPO P05164 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA3 P0DMS8 1/20 0.34
ADORA2B P29275 1/20 0.34

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
SCHEMBL118346 0.84 NOTUM (0.64) NOTUMKDM4EALDH1A1MAPK1MAPT
Hydrochloric Acid SCHEMBL2671867 0.82 NOTUM (0.62) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL5836583 0.79 NOTUM (0.41) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL5836872 0.75 MAPT (0.46) KDM4EALDH1A1MAPTLMNA
SCHEMBL4341894 0.73 NOTUM (0.78) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL5836930 0.71 MAPT (0.79) NOTUMMAPTLMNA
SCHEMBL6898879 0.70 COMT (0.61) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL18292158 0.69 NOTUM (0.50) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL14955783 0.69 NOTUM (0.48) NOTUMKDM4EALDH1A1MAPK1MAPT
SCHEMBL521666 0.68 MAPT (0.52) NOTUMKDM4EALDH1A1MAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US claimed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 US claimed
US-7132534-B2 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL (FR) 2006-11-07 US disclosed
US-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers L'OREAL S.A. (FR) 2004-04-22 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-20040077852-A1 Para-phenylenediamine derivatives containing a pyrrolidyl group, and use of these derivatives for coloring keratin fibers KRT18, CDC73, VIM NOTUM 1128/4885KDM4E 590/4885ALDH1A1 1327/4885

“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.