SCHEMBL6069436

SCHEMBL6069436

Nc1ccc(F)c(NCc2ccc(O)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 3/20 0.47
THRB P10828 3/20 0.47
ALOX12 P18054 2/20 0.47
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.40
BLM P54132 3/20 0.40
ALOX15 P16050 3/20 0.40
CASP1 P29466 3/20 0.40
HSD17B10 Q99714 3/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
AGER Q15109 1/20 0.40

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
SCHEMBL6557221 0.83 HDAC1 (0.56) KDM4EHDAC1HDAC8HDAC6L3MBTL1
SCHEMBL6069372 0.83 CYP1A2 (0.50) ALDH1A1KMT2AKDM4EMAPTHDAC1
SCHEMBL6259279 0.77 TNIK (0.49) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL6069201 0.77 HDAC8 (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT
Hydrochloric Acid SCHEMBL2990577 0.76 TNIK (0.48) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL6069465 0.75 CA12 (0.57) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL7563743 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL6069135 0.74 MAPT (0.41) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL22288489 0.73 SHMT2 (0.50) ALDH1A1KMT2AMEN1MAPTALOX15
SCHEMBL31577324 0.73 SHMT2 (0.50) ALDH1A1KMT2AMEN1MAPTALOX15

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 9 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
CN-1529691-A N-benzyl-m-phenylenediamine derivatives and colorants containing these compounds P&G 2004-09-15 CN 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 ALDH1A1 601/4885KMT2A 2274/4885KDM4E 1903/4885

“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.