SCHEMBL3377804

SCHEMBL3377804

NN(c1[c]cccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7018547 0.80 ALDH1A1 (0.38) ALDH1A1CYP3A4
SCHEMBL9622532 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL128446 0.77 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL10699464 0.74 ALDH1A1 (0.32) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL5148345 0.74
SCHEMBL11077033 0.74
SCHEMBL693664 0.74 MEN1 (0.37) ALDH1A1
SCHEMBL1792016 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL193916 0.72 ALDH1A1 (0.46) ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL6792934 0.71 ALDH1A1 (0.62) ALDH1A1MAPTTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642567-B1 Colouring composition comprising naphthoylene-benzimidazolium compound as direct dye, preparation and uses OREAL (FR) 2010-11-03 EP claimed
US-20060085923-A1 Dye composition comprising a naphthoylene-benzimidazolium direct dye, process for dyeing keratin fibers and uses thereof L'OREAL S.A. (FR) 2006-04-27 US claimed
US-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds PHARMACIA CORPORATION 2005-04-07 US claimed
US-20060085923-A1 Dye composition comprising a naphthoylene-benzimidazolium direct dye, process for dyeing keratin fibers and uses thereof L'OREAL S.A. (FR) 2006-04-27 US 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-20050075374-A1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds MMP1, MMP2, MMP3 ALDH1A1 925/4885KDM4E 1308/4885CYP1A2 1309/4885

“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.