SCHEMBL6483746

SCHEMBL6483746

CC(Nc1ccccc1)c1cc(N)ccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
TDP1 Q9NUW8 5/20 0.45
GAA P10253 5/20 0.43
HDAC3 O15379 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
NCOR2 Q9Y618 3/20 0.40
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
ALOX15 P16050 3/20 0.40
CYP3A4 P08684 3/20 0.40
ALOX12 P18054 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
RECQL P46063 2/20 0.40
THRB P10828 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
SCHEMBL6739761 0.89 MEN1 (0.41) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL6734145 0.88 MEN1 (0.43) MEN1KMT2ATDP1GAAHDAC3
SCHEMBL5682687 0.85 KMT2A (0.68) MEN1KMT2ATDP1GAAHDAC3
SCHEMBL2782721 0.84 ALDH1A1 (0.45) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL6740875 0.82 MEN1 (0.36) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL6737909 0.81 MAPT (0.42) MEN1KMT2ATDP1GAAHDAC3
SCHEMBL6739233 0.80 ALDH1A1 (0.46) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL6484587 0.80 ALDH1A1 (0.52) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL6738105 0.80 EGFR (0.38) MEN1KMT2ATDP1GAAALDH1A1
SCHEMBL6477831 0.77 CYP2D6 (0.38) MEN1KMT2ATDP1GAAALDH1A1

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
US-6951574-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY (US) 2005-10-04 US disclosed
US-20040255403-A1 Primary intermediates for oxidative coloration of hair LIM MU-ILL (US) 2004-12-23 US disclosed
US-6780999-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-08-24 US disclosed
EP-1353895-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-10-22 EP disclosed
US-20020144357-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2002-10-10 US disclosed
WO-2002058632-A2 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-CLARIOL, INC. (US) 2002-08-01 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 (2 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-20040255403-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 MEN1 3441/4885KMT2A 1922/4885TDP1 2250/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 MEN1 3441/4885KMT2A 1922/4885TDP1 2250/4885

“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.