SCHEMBL6484587

SCHEMBL6484587

COc1ccc(NC(C)c2cc(N)ccc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
GAA P10253 7/20 0.52
TDP1 Q9NUW8 6/20 0.52
KDM4E B2RXH2 4/20 0.52
L3MBTL1 Q9Y468 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HPGD P15428 1/20 0.52
NR4A1 P22736 1/20 0.50
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 3/20 0.44
MAPT P10636 4/20 0.40
THRB P10828 2/20 0.40
RECQL P46063 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
HTT P42858 1/20 0.40
MMP14 P50281 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 0.87 MEN1 (0.41) ALDH1A1GAATDP1KDM4EL3MBTL1
SCHEMBL5685489 0.87 ALDH1A1 (0.71) ALDH1A1GAATDP1KDM4EL3MBTL1
SCHEMBL6483746 0.80 MEN1 (0.47) ALDH1A1GAATDP1KDM4EL3MBTL1
SCHEMBL6740875 0.80 MEN1 (0.36) ALDH1A1GAATDP1KDM4EL3MBTL1
SCHEMBL6490146 0.80 CASR (0.53) ALDH1A1TDP1L3MBTL1MEN1KMT2A
SCHEMBL6739233 0.78 ALDH1A1 (0.46) ALDH1A1GAATDP1KDM4EL3MBTL1
SCHEMBL6535654 0.78 TDP1 (0.48) ALDH1A1GAATDP1KDM4EMEN1
SCHEMBL6734145 0.76 MEN1 (0.43) ALDH1A1GAATDP1KDM4EMEN1
SCHEMBL6740811 0.75 MEN1 (0.36) ALDH1A1GAATDP1KDM4EL3MBTL1
SCHEMBL15003942 0.72 ALDH1A1 (0.82) ALDH1A1GAATDP1KDM4EL3MBTL1

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 ALDH1A1 7/4885GAA 4142/4885TDP1 2250/4885
US-20020144357-A1 Primary intermediates for oxidative coloration of hair COX5A, CYC1, MT-CO1 ALDH1A1 7/4885GAA 4142/4885TDP1 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.