SCHEMBL6877207

SCHEMBL6877207

Cc1cccc(NCC(N)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTT P42858 1/20 0.58
HPGD P15428 2/20 0.49
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL31258062 0.85 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2492535 0.85 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11743312 0.84 MAPT (0.60) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11364583 0.83 MAPT (0.55) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28618905 0.81 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL11781963 0.81 MAPT (0.56) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10579917 0.81 MAPT (0.61) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27734558 0.80 SYK (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27734559 0.80 SYK (0.58) MAPTCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14838659 0.79 MAPT (0.64) MAPTCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6824570-B2 CHROMATIC DIRECT DYES OF 2-AZO BENZIMIDAZOLE, BENZOTHIAZOLE OR BENZOXAOZLE DERIVATIVES L'OREAL S.A. (FR) 2004-11-30 US disclosed
US-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye L'OREAL S.A. (FR) 2003-06-12 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-20030106169-A1 Composition for dyeing human keratin fibres, comprising a particular monocationic monoazo dye KRT18, TUBB3, TUBB1 MAPT 468/4885CYP1A2 746/4885CYP3A4 1421/4885

“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.