SCHEMBL4861829

SCHEMBL4861829

CN(C)c1ccc2nc3ccc(N(CCO)CCO)cc3[o+]c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.42
TERT O14746 2/20 0.42
PSMB5 P28074 4/20 0.39
APAF1 O14727 1/20 0.37
EGFR P00533 2/20 0.36
SLC29A1 Q99808 1/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
HTT P42858 1/20 0.34
MCL1 Q07820 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP14 P50281 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4856935 0.88 TERT (0.50) TERTSLC29A1MAPTKMT2AMEN1
SCHEMBL3899512 0.76 TERT (0.61) TERTMAPTKMT2AMEN1LMNA
SCHEMBL29549001 0.76 TERT (0.61) TERTMAPTKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL31741233 0.74 TERT (0.59) TERTMAPTKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL2854081 0.74 TERT (0.59) TERTMAPTKMT2AMEN1LMNA
Perchlorate SCHEMBL891055 0.74 TERT (0.54) TERTMAPTKMT2AMEN1LMNA
SCHEMBL13107609 0.73 APAF1 (0.43) APPTERTPSMB5APAF1EGFR
Hydrochloric Acid SCHEMBL1259938 0.73 TERT (0.58) TERTMAPTKMT2AMEN1LMNA
SCHEMBL6273733 0.70 KMT2A (0.38) TERTMAPTKMT2AMEN1LMNA
SCHEMBL6271438 0.70 NPC1 (0.43) APPTERTMAPTKMT2AMEN1

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
US-7326258-B2 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2008-02-05 US claimed
US-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2005-12-22 US claimed
EP-1607393-A1 Compositions comprising hydroalkylated direct dyestuffs, process for implementing and use L'OREAL (FR) 2005-12-21 EP claimed
US-7326258-B2 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2008-02-05 US disclosed
US-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2005-12-22 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-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof KRT18, DSG1, CUTA APP 1324/4885TERT 509/4885PSMB5 169/4885

“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.