SCHEMBL6069372

SCHEMBL6069372

Nc1ccc(F)c(NCc2cccc(O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
KDM4E B2RXH2 2/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ENPP2 Q13822 1/20 0.42
HIF1A Q16665 1/20 0.42

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
SCHEMBL6069436 0.83 ALDH1A1 (0.47) CYP3A4ALOX15MAPK1KDM4EKMT2A
SCHEMBL6557221 0.83 HDAC1 (0.56) KDM4ELMNAHDAC1HDAC8HDAC6
SCHEMBL6141920 0.79 CYP1A2 (0.50) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL6069254 0.79 MAPT (0.51) CYP1A2CYP3A4PKMALOX15NFKB1
Hydrochloric Acid SCHEMBL2989202 0.78 MAPT (0.51) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL2940046 0.76 HIF1A (0.61) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL6069237 0.76 CYP1A2 (0.43) CYP1A2CYP3A4PKMALOX15NFKB1
SCHEMBL4420508 0.75 HIF1A (0.56) CYP1A2CYP3A4PKMALOX15NFKB1
Hydrochloric Acid SCHEMBL2987245 0.75 HIF1A (0.60) CYP1A2CYP3A4PKMALOX15NFKB1
Hydrochloric Acid SCHEMBL6069464 0.75 KMT2A (0.44) CYP1A2CYP3A4PKMALOX15NFKB1

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 CYP1A2 2895/4885CYP3A4 2664/4885PKM 63/4885

“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.