SCHEMBL6069709

SCHEMBL6069709

Nc1ccc(OCCO)c(NCc2ccccc2N2CCOCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.44
BRD9 Q9H8M2 2/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
NPC1 O15118 1/20 0.39
FGFR1 P11362 1/20 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 SCHEMBL6069122 0.99 BRD4 (0.43) BRD4BRD9MEN1KMT2AALDH1A1
SCHEMBL6069221 0.95 BRD4 (0.43) BRD4BRD9MEN1KMT2AALDH1A1
SCHEMBL6069736 0.83 BRD9 (0.46) BRD4BRD9MEN1KMT2AALDH1A1
SCHEMBL7115930 0.83 BRD9 (0.46) BRD4BRD9MEN1KMT2AALDH1A1
SCHEMBL6141837 0.81 BRD9 (0.47) BRD4BRD9MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL2993545 0.80 BRD9 (0.46) BRD4BRD9MEN1KMT2AALDH1A1
SCHEMBL6069540 0.79 KDM4E (0.39) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL6069142 0.78 CA12 (0.49) MEN1KMT2AALDH1A1GAAKDM4E
Hydrochloric Acid SCHEMBL6069302 0.78 KDM4E (0.38) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL14320302 0.77 MAPT (0.55) MEN1KMT2AALDH1A1GAAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390341-A1 N-BENZYL-M-PHENYLENEDIAMINE DERIVATIVES AND DYES CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-02-25 EP 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 BRD4 434/4885BRD9 181/4885MEN1 2255/4885

“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.