SCHEMBL6535617

SCHEMBL6535617

CC(Oc1cccnc1)c1cc(N)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 5/20 0.39
CHRNA4 P43681 5/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
JAK2 O60674 1/20 0.37
MEN1 O00255 1/20 0.37
PSIP1 O75475 1/20 0.37
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
HTT P42858 2/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL3977541 0.86 CHRNB4 (0.38) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL6535648 0.82 POLB (0.43) ALDH1A1LMNATDP1MEN1POLB
SCHEMBL6535756 0.78 TDP1 (0.39) ALDH1A1TDP1MEN1POLB
SCHEMBL6535654 0.74 TDP1 (0.48) ALDH1A1TDP1MEN1
SCHEMBL6535758 0.73 ALDH1A1 (0.37) ALDH1A1LMNATDP1HTTPOLB
SCHEMBL4946642 0.70 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL29854164 0.70 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1
SCHEMBL28048770 0.70 CFTR (0.48) CHRNB2CHRNA4CHRNB4CHRNA3LMNA
SCHEMBL30354798 0.70 POLB (0.41) POLB
SCHEMBL6535506 0.70 GAA (0.33) ALDH1A1TDP1MEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1359887-A4 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P & G CLAIROL INC (US) 2004-08-18 EP disclosed
US-6673932-B2 Primary intermediates for oxidative coloration of hair THE PROCTER & GAMBLE COMPANY 2004-01-06 US disclosed
EP-1359887-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G-Clairol, Inc. (US) 2003-11-12 EP disclosed
US-20030131422-A1 Primary intermediates for oxidative coloration of hair WELLA OPERATIONS US, LLC 2003-07-17 US disclosed
WO-2002058658-A1 PRIMARY INTERMEDIATES FOR OXIDATIVE COLORATION OF HAIR P&G - CLAIROL, 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 (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-20030131422-A1 Primary intermediates for oxidative coloration of hair CYC1, MT-CO1, COX5A CHRNB2 3288/4885CHRNA4 3805/4885CHRNB4 2855/4885

“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.