SCHEMBL6069202

SCHEMBL6069202

Nc1ccc(OCCO)c(NCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
BACE1 P56817 1/20 0.42
EGFR P00533 1/20 0.42
HTR6 P50406 2/20 0.42
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
HTT P42858 1/20 0.40
CRHR2 Q13324 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39

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
Hydrochloric Acid SCHEMBL6069400 0.99 PTGDR2 (0.44) PTGDR2HDAC1HDAC8HDAC6BACE1
SCHEMBL6070027 0.93 HDAC1 (0.41) PTGDR2HDAC1HDAC8HDAC6BACE1
SCHEMBL6069164 0.92 MITF (0.39) PTGDR2HDAC8HTR6MAPTKMT2A
SCHEMBL6069233 0.90 EGFR (0.46) PTGDR2HDAC8BACE1EGFRHTR6
Hydrochloric Acid SCHEMBL6069441 0.90 MAPT (0.39) PTGDR2HDAC1HDAC8HDAC6HTR6
Hydrochloric Acid SCHEMBL6069382 0.89 EGFR (0.45) PTGDR2BACE1EGFRHTR6MAPT
SCHEMBL6069184 0.88 APP (0.40) PTGDR2MAPTKMT2AMEN1CRHBP
SCHEMBL6069135 0.88 MAPT (0.41) PTGDR2HTR6MAPTKMT2AL3MBTL1
SCHEMBL5980154 0.87 PTGDR2 (0.37) PTGDR2EGFRHTR6MAPTKMT2A
SCHEMBL6069237 0.87 CYP1A2 (0.43) PTGDR2EGFRDRD2MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US claimed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP claimed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US claimed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO claimed
US-7074243-B2 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AG (DE) 2006-07-11 US disclosed
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP disclosed
US-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds WELLA AKTIENGESELLSCHAFT (DE) 2003-10-02 US disclosed
WO-2002096854-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO 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-20030182735-A1 N-benzyl-m-phenylenediamine derivatives and dyes containing said compounds KRT18, VIM, KPNB1 PTGDR2 4029/4885HDAC1 2089/4885HDAC8 3317/4885

“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.