SCHEMBL6043399

SCHEMBL6043399

COCCCCCOc1ccccc1CN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 4/20 0.45
HPGD P15428 2/20 0.45
MAPT P10636 2/20 0.45
ATM Q13315 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
PTK2B Q14289 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HRH1 P35367 2/20 0.41
ALDH1A1 P00352 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
SCHEMBL6043757 0.98 KDM4E (0.47) KDM4EL3MBTL1HPGDMAPTATM
SCHEMBL6043540 0.95 L3MBTL1 (0.50) KDM4EL3MBTL1HPGDMAPTATM
SCHEMBL10736684 0.89 L3MBTL1 (0.50) KDM4EL3MBTL1HPGDMAPTATM
Hydrochloric Acid SCHEMBL1848634 0.87 L3MBTL1 (0.49) KDM4EL3MBTL1HPGDMAPTATM
SCHEMBL28006581 0.86 MAPT (0.55) L3MBTL1HPGDMAPTATMCYP1A2
SCHEMBL8369229 0.86 MAPT (0.55) L3MBTL1HPGDMAPTATMCYP1A2
SCHEMBL9081719 0.86 MAPT (0.55) L3MBTL1HPGDMAPTATMCYP1A2
SCHEMBL12408539 0.85 KDM4E (0.52) KDM4EL3MBTL1HPGDMAPTATM
Hydrazine SCHEMBL15923696 0.83 MAPT (0.53) L3MBTL1HPGDMAPTATMCYP1A2
SCHEMBL2903622 0.81 CYP1A2 (0.61) KDM4EL3MBTL1HPGDMAPTATM

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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
WO-2003103652-A1 METHODS OF TREATING ALZHEIMER’S DISEASE USING AROMATICALLY SUBSTITUTED ω-AMINO-ALKANOIC ACID AMIDES AND ALKANOIC ACID DIAMIDES ELAN PHARMACEUTICALS, INC. (US) 2003-12-18 WO disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
CN-1136556-A Aromatic group substituted W-amino alkyl amide and alkyl amide CIBA GEIGY CO LTD (CH) 1996-11-27 CN disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 KDM4E 1951/4885L3MBTL1 637/4885HPGD 2228/4885

“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.