SCHEMBL5154288

SCHEMBL5154288

Nc1ncc(N(CCO)CCO)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
EPHX2 P34913 1/20 0.32
MYC P01106 1/20 0.32
WDR5 P61964 1/20 0.32
GAK O14976 1/20 0.32
TSHR P16473 1/20 0.31
CSNK2A1 P68400 1/20 0.31
POLB P06746 2/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL5157942 0.90 NOS1 (0.37) NOS1SMN1; SMN2ALDH1A1TSHRPOLB
SCHEMBL5156300 0.81 POLB (0.42) NOS1SMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL27667547 0.75 SMN1; SMN2 (0.39) NOS1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL5040100 0.70 GAA (0.37) SMN1; SMN2ALDH1A1TSHRMAPTHTT
SCHEMBL13060479 0.69 SMN1; SMN2 (0.36) NOS1SMN1; SMN2ALDH1A1POLBMAPT
SCHEMBL5154416 0.69 POLB (0.30) POLB
SCHEMBL3055975 0.69
SCHEMBL5157901 0.68
SCHEMBL5875748 0.66 SMN1; SMN2 (0.43) NOS1SMN1; SMN2ALDH1A1HPGDALOX15
SCHEMBL307251 0.65

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 NOS1 1422/4885SMN1; SMN2 4850/4885ALDH1A1 782/4885

“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.